RMG Output

Species (197)


IndexThermo
H298 (kcal/mol), S298 (cal/mol*K), Cp (cal/mol*K)		StructureLabelSMILESMW
(g/mol)
14.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
108.78 63.22 13.69 15.42 17.49 18.60
Thermo library: SiliconHydrideLibrary
 H2Si2(14) H2Si2(14) [SiH3][SiH3] 58.19
15.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
86.31 79.26 25.55 32.71 41.69 45.42
Thermo group additivity estimation: group(Sis-H3Sis) + other(R) + group(Sis-
H2siSis) + other(R) + group(si) + other(R)
 H6Si3(15) H6Si3(15) [SiH3][SiH2][SiH3] 90.30
17.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
95.85 95.00 34.55 44.57 56.83 61.78
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2siSis) + other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R)
 H8Si4(17) H8Si4(17) [SiH3][SiH2][SiH2][SiH3] 120.41
18.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
95.24 69.91 15.46 18.35 22.14 23.84
Thermo library: SiliconHydrideLibrary
 H3Si2(18) H3Si2(18) [SiH]=[SiH2] 59.19
22.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
130.24 86.45 15.37 17.36 20.96 22.30
Thermo group additivity estimation: group(Sid-H2) + other(R) + group(si) +
other(R) + radical(SidsJ_Si)
 HSi2(22) HSi2(22) [SiH]=[SiH2] 57.18
24.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
107.19 96.00 25.08 31.64 40.19 43.64
Thermo group additivity estimation: group(Sis-H3Sid) + other(R) + group(Sid-
HSis) + other(R) + group(si) + other(R)
 H4Si3(24) H4Si3(24) [SiH2]=[SiH][SiH3] 88.29
25.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
117.45 111.50 34.11 43.54 55.36 60.03
Thermo group additivity estimation: group(Sis-H3Sis) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(si) + other(R)
 H6Si4(25) H6Si4(25) [SiH2]=[SiH][SiH2][SiH3] 118.39
27.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
75.76 17.42 32.48 39.20 45.90 48.44
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sis-Sis4)
+ other(R) + group(Sid-H2) + other(R) + group(Sid-H2) + other(R)
 H6Si4(27) H6Si4(27) [SiH2]=[SiH][SiH]=[SiH2] 118.39
28.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
108.36 37.24 32.15 38.26 44.55 46.76
Thermo group additivity estimation: group(Sid-H2) + other(R) + group(Sis-Sis4) +
other(R) + group(Sis-Sis4) + other(R) + group(si) + other(R)
 H4Si4(28) H4Si4(28) [SiH2]=[SiH][SiH]=[SiH2] 116.37
35.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
48.90 108.78 46.35 61.87 80.72 88.53
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R)
 H12Si5(35) H12Si5(35) [SiH3][SiH2][SiH2][SiH2][SiH3] 152.52
36.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
47.41 107.71 46.32 61.74 80.68 88.47
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R)
 H12Si5(36) H12Si5(36) [SiH3][SiH2][SiH]([SiH3])[SiH3] 152.52
37.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
94.39 108.80 43.44 56.36 71.83 78.10
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sid-H2) + other(R)
 H10Si5(37) H10Si5(37) [SiH2]=[SiH][SiH2][SiH2][SiH3] 150.51
38.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
93.83 106.38 43.58 56.35 71.87 78.07
Thermo group additivity estimation: group(Sis-HSidSis2) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R)
 H10Si5(38) H10Si5(38) [SiH2]=[SiH][SiH]([SiH3])[SiH3] 150.51
43.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
96.40 93.40 33.98 44.05 56.54 61.65
Thermo group additivity estimation: group(Sis-H2siSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(si) + other(R) + group(Sis-H3si) + other(R)
 H8Si4(43) H8Si4(43) [SiH3][SiH2][SiH2][SiH3] 120.41
44.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
56.95 123.45 55.33 73.63 95.81 104.86
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R)
 H14Si6(44) H14Si6(44) [SiH3][SiH2][SiH]([SiH3])[SiH2][SiH3] 182.62
45.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
58.44 124.52 55.35 73.72 95.86 104.90
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R)
 H14Si6(45) H14Si6(45) [SiH3][SiH2][SiH2][SiH2][SiH2][SiH3] 182.62
46.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
103.37 122.12 52.58 68.21 87.00 94.44
Thermo group additivity estimation: group(Sis-HSidSis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sid-HSis) + other(R) + group(Sid-H2) + other(R)
 H12Si6(46) H12Si6(46) [SiH2]=[SiH][SiH]([SiH3])[SiH2][SiH3] 180.61
47.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
103.93 124.54 52.44 68.23 86.96 94.47
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2SidSis) + other(R) + group(Sis-H3Sis) +
other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R)
 H12Si6(47) H12Si6(47) [SiH2]=[SiH][SiH2][SiH2][SiH2][SiH3] 180.61
48.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
111.93 79.17 24.46 30.28 37.26 40.24
Thermo group additivity estimation: group(Sis-H3Sid) + other(R) + group(Sid-H2)
+ other(R) + group(Sid-HSis) + other(R) + radical(SisJ_Si_H2)
 H5Si3(48) H5Si3(48) [SiH2][SiH]=[SiH2] 89.30
52.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
84.88 51.40 8.47 9.43 11.55 12.61
Thermo library: SiliconHydrideLibrary
 H2Si(52) H2Si(52) [SiH2] 30.10
55.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
122.19 94.67 33.49 42.18 52.43 56.63
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si_H2)
 H7Si4(55) H7Si4(55) [SiH2][SiH2][SiH]=[SiH2] 119.40
56.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
119.49 94.60 33.10 41.80 52.34 56.58
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si2_H)
 H7Si4(56) H7Si4(56) [SiH2]=[SiH][SiH][SiH3] 119.40
59.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
75.21 93.59 36.38 47.55 61.29 67.00
Thermo group additivity estimation: group(Sis-H3Sis) + other(R) + group(Sis-
HSis3) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2)
 H9Si4(59) H9Si4(59) [SiH2][SiH]([SiH3])[SiH3] 121.41
60.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
84.75 109.33 45.38 59.39 76.43 83.36
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2)
 H11Si5(60) H11Si5(60) [SiH2][SiH]([SiH3])[SiH2][SiH3] 151.51
61.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
86.24 111.77 45.41 59.52 76.48 83.42
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2)
 H11Si5(61) H11Si5(61) [SiH2][SiH2][SiH2][SiH2][SiH3] 151.51
62.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
87.31 69.39 16.30 20.66 26.38 28.85
Thermo library: SiliconHydrideLibrary + radical(SiSiH_triplet)
 H4Si2(62) H4Si2(62) [SiH][SiH3] 60.20
64.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
104.50 80.53 26.47 33.47 41.95 45.59
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2) +
radical(SisJ_Si_H2)
 H6Si3(64) H6Si3(64) [SiH2][SiH2][SiH2] 90.30
73.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
84.75 109.33 45.38 59.39 76.43 83.36
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2)
 H11Si5(73) H11Si5(73) [SiH2][SiH2][SiH]([SiH3])[SiH3] 151.51
74.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
94.29 125.07 54.38 71.25 91.56 99.73
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2)
 H13Si6(74) H13Si6(74) [SiH2][SiH2][SiH]([SiH3])[SiH2][SiH3] 181.62
75.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
95.78 127.51 54.41 71.38 91.61 99.78
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2)
 H13Si6(75) H13Si6(75) [SiH2][SiH2][SiH2][SiH2][SiH2][SiH3] 181.62
77.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
114.04 96.27 35.46 45.32 57.08 61.94
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si_H2)
 H8Si4(77) H8Si4(77) [SiH2][SiH2][SiH2][SiH2] 120.41
78.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
111.35 97.57 35.07 44.94 56.99 61.89
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si2_H)
 H8Si4(78) H8Si4(78) [SiH2][SiH2][SiH][SiH3] 120.41
54.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
123.65 80.87 24.61 30.38 37.43 40.32
Thermo group additivity estimation: group(Sis-H2siSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(si) + other(R) + radical(SisJ_Si_H2)
 H5Si3(54) H5Si3(54) [SiH2][SiH2][SiH3] 89.30
85.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
83.54 110.32 45.04 59.17 76.38 83.39
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + radical(SisJ_Si2_H)
 H11Si5(85) H11Si5(85) [SiH3][SiH2][SiH][SiH2][SiH3] 151.51
86.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
131.73 110.41 42.49 54.05 67.56 73.00
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sid-H2) + other(R) + radical(SisJ_Si_H2)
 H9Si5(86) H9Si5(86) [SiH2][SiH2][SiH2][SiH]=[SiH2] 149.50
87.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
131.17 108.00 42.64 54.03 67.59 72.98
Thermo group additivity estimation: group(Sis-HSidSis2) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + radical(SisJ_Si_H2)
 H9Si5(87) H9Si5(87) [SiH2][SiH]([SiH3])[SiH]=[SiH2] 149.50
88.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
129.03 110.34 42.10 53.67 67.47 72.95
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sid-H2) + other(R) + radical(SisJ_Si2_H)
 H9Si5(88) H9Si5(88) [SiH2]=[SiH][SiH][SiH2][SiH3] 149.50
92.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
101.15 81.26 25.60 32.78 41.72 45.49
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + radical(SiSiH_triplet)
 H6Si3(92) H6Si3(92) [SiH][SiH2][SiH3] 90.30
93.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
112.55 95.21 35.43 45.20 57.03 61.89
Thermo group additivity estimation: group(Sis-H3Sis) + other(R) + group(Sis-
HSis3) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si_H2)
 H8Si4(93) H8Si4(93) [SiH2][SiH]([SiH2])[SiH3] 120.41
96.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
123.58 112.01 44.47 57.19 72.21 78.32
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2) + radical(SisJ_Si_H2)
 H10Si5(96) H10Si5(96) [SiH2][SiH2][SiH2][SiH2][SiH2] 150.51
97.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
122.09 110.95 44.44 57.06 72.16 78.26
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2) + radical(SisJ_Si_H2)
 H10Si5(97) H10Si5(97) [SiH2][SiH2][SiH]([SiH2])[SiH3] 150.51
98.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
120.89 113.31 44.08 56.81 72.12 78.26
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + radical(SisJ_Si2_H) + radical(SisJ_Si_H2)
 H10Si5(98) H10Si5(98) [SiH2][SiH2][SiH][SiH2][SiH3] 150.51
99.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
133.74 95.02 33.03 41.71 52.28 56.53
Thermo group additivity estimation: group(Sis-H2siSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(si) + other(R) + group(Sis-H3si) + other(R) +
radical(SisJ_Si_H2)
 H7Si4(99) H7Si4(99) [SiH2][SiH2][SiH2][SiH3] 119.40
102.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
83.54 111.69 45.04 59.17 76.38 83.39
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + radical(SisJ_Si2_H)
 S(102) S(102) [SiH3][SiH][SiH2][SiH2][SiH3] 151.51
103.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
94.29 125.07 54.38 71.25 91.56 99.73
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2)
 S(103) S(103) [SiH2][SiH]([SiH2][SiH3])[SiH2][SiH3] 181.62
104.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
93.08 127.43 54.02 71.00 91.52 99.73
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H)
 S(104) S(104) [SiH3][SiH2][SiH][SiH2][SiH2][SiH3] 181.62
105.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
140.71 123.74 51.64 65.90 82.72 89.35
Thermo group additivity estimation: group(Sis-HSidSis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) + radical(SisJ_Si_H2)
 S(105) S(105) [SiH2][SiH2][SiH]([SiH3])[SiH]=[SiH2] 179.60
106.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
140.71 123.74 51.64 65.90 82.72 89.35
Thermo group additivity estimation: group(Sis-HSidSis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) + radical(SisJ_Si_H2)
 S(106) S(106) [SiH2][SiH]([SiH]=[SiH2])[SiH2][SiH3] 179.60
107.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
141.27 126.15 51.50 65.92 82.69 89.38
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2SidSis) + other(R) + group(Sis-H3Sis) +
other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si_H2)
 S(107) S(107) [SiH2][SiH2][SiH2][SiH2][SiH]=[SiH2] 179.60
108.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
138.57 126.08 51.11 65.54 82.60 89.32
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2SidSis) + other(R) + group(Sis-H3Sis) +
other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si2_H)
 S(108) S(108) [SiH2]=[SiH][SiH][SiH2][SiH2][SiH3] 179.60
109.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
156.84 96.21 32.16 39.49 48.06 51.49
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si_H2)
 H6Si4(109) H6Si4(109) [SiH2][SiH][SiH]=[SiH2] 118.39
115.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
110.69 97.00 34.62 44.65 56.86 61.87
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SiSiH_triplet)
 H8Si4(115) H8Si4(115) [SiH][SiH2][SiH2][SiH3] 120.41
116.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
124.65 71.01 15.35 18.39 22.02 23.81
Thermo library: SiliconHydrideLibrary + radical(SisJ_Si_H2) +
radical(SiSiH_triplet)
 H3Si2(116) H3Si2(116) [SiH][SiH2] 59.19
117.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
122.09 110.95 44.44 57.06 72.16 78.26
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2) + radical(SisJ_Si_H2)
 S(117) S(117) [SiH2][SiH]([SiH2])[SiH2][SiH3] 150.51
118.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
120.89 113.31 44.08 56.81 72.12 78.26
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + radical(SisJ_Si2_H) + radical(SisJ_Si_H2)
 S(118) S(118) [SiH2][SiH][SiH2][SiH2][SiH3] 150.51
119.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
139.15 82.07 25.13 30.76 37.59 40.43
Thermo group additivity estimation: group(Sis-H3Sis) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2) +
radical(SisJ_Si2_H) + radical(SisJ_Si_H2)
 H5Si3(119) H5Si3(119) [SiH2][SiH][SiH2] 89.30
121.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
131.63 126.69 53.44 68.93 87.29 94.63
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si_H2)
 S(121) S(121) [SiH2][SiH2][SiH]([SiH3])[SiH2][SiH2] 180.61
122.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
131.63 126.69 53.44 68.93 87.29 94.63
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si_H2)
 S(122) S(122) [SiH2][SiH2][SiH]([SiH2])[SiH2][SiH3] 180.61
123.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
133.12 127.75 53.47 69.06 87.34 94.69
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si_H2)
 S(123) S(123) [SiH2][SiH2][SiH2][SiH2][SiH2][SiH2] 180.61
124.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
130.43 129.05 53.08 68.68 87.25 94.64
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si2_H)
 S(124) S(124) [SiH2][SiH2][SiH][SiH2][SiH2][SiH3] 180.61
125.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
148.69 99.19 34.13 42.63 52.72 56.80
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si2_H) + radical(SisJ_Si_H2)
 H7Si4(125) H7Si4(125) [SiH2][SiH][SiH2][SiH2] 119.40
126.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
78.19 88.61 36.61 47.78 61.43 67.05
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SiH3)
 H9Si4(126) H9Si4(126) [SiH3][Si]([SiH3])[SiH3] 121.41
127.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
91.63 92.21 34.31 44.30 56.68 61.69
Thermo group additivity estimation: group(Sis-H3Sis) + other(R) + group(Sis-
HsiSis2) + other(R) + group(Sis-H3Sis) + other(R) + group(si) + other(R)
 H8Si4(127) H8Si4(127) [SiH3][SiH]([SiH3])[SiH3] 120.41
33.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
86.26 77.23 24.94 32.21 41.45 45.31
Thermo group additivity estimation: group(si) + other(R) + group(Sis-H3si) +
other(R) + group(Sis-H3si) + other(R)
 H6Si3(33) H6Si3(33) [SiH3][SiH2][SiH3] 90.30
129.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
105.27 81.83 24.37 29.89 37.35 40.30
Thermo group additivity estimation: group(Sis-H3Sid) + other(R) + group(Sid-
HSis) + other(R) + group(Sid-H2) + other(R) + radical(SidsJ_Si)
 H5Si3(129) H5Si3(129) [SiH2]=[Si][SiH3] 89.30
130.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
105.27 81.83 24.37 29.89 37.35 40.30
Thermo group additivity estimation: group(Sis-H3Sid) + other(R) + group(Sid-
HSis) + other(R) + group(Sid-H2) + other(R) + radical(SidsJ_Si)
 H5Si3(130) H5Si3(130) [SiH]=[SiH][SiH3] 89.30
131.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
103.96 59.71 24.28 29.15 34.85 37.03
Thermo group additivity estimation: group(Sid-H2) + other(R) + group(Sis-Sis4) +
other(R) + group(si) + other(R)
 H4Si3(131) H4Si3(131) [SiH2]=[SiH][SiH3] 88.29
132.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
44.96 98.46 46.45 61.64 80.67 88.43
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R)
 S(132) S(132) [SiH3][Si]([SiH3])([SiH3])[SiH3] 152.52
134.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
80.31 90.62 33.92 44.02 56.48 61.62
Thermo group additivity estimation: group(Sid-Sis2) + other(R) + group(Sis-
H3Sid) + other(R) + group(Sis-H3Sid) + other(R) + group(Sid-H2) + other(R)
 H8Si4(134) H8Si4(134) [SiH2]=[Si]([SiH3])[SiH3] 120.41
135.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
82.22 90.00 34.09 44.21 56.55 61.68
Thermo group additivity estimation: group(Sis-H3Sid) + other(R) + group(Sis-
H3Sid) + other(R) + group(Sid-HSis) + other(R) + group(Sid-HSis) + other(R)
 H8Si4(135) H8Si4(135) [SiH3][SiH]=[SiH][SiH3] 120.41
136.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
56.95 123.45 55.33 73.63 95.81 104.86
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R)
 S(136) S(136) [SiH3][SiH2][SiH2][SiH]([SiH3])[SiH3] 182.62
137.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
54.50 116.95 55.44 73.47 95.81 104.77
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R)
 S(137) S(137) [SiH3][SiH2][Si]([SiH3])([SiH3])[SiH3] 182.62
140.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
90.57 107.49 42.94 55.89 71.66 77.99
Thermo group additivity estimation: group(Sid-Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sid) + other(R)
+ group(Sid-H2) + other(R)
 S(140) S(140) [SiH2]=[Si]([SiH3])[SiH2][SiH3] 150.51
141.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
92.48 106.87 43.11 56.07 71.73 78.05
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sid-
HSis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sid-HSis) + other(R) +
group(Sis-H3Sid) + other(R)
 S(141) S(141) [SiH3][SiH]=[SiH][SiH2][SiH3] 150.51
142.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
102.44 122.09 52.41 68.10 86.91 94.41
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
HSis3) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sid-HSis) + other(R) + group(Sid-H2) + other(R)
 S(142) S(142) [SiH2]=[SiH][SiH2][SiH]([SiH3])[SiH3] 180.61
143.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
102.88 116.32 52.79 68.17 87.04 94.41
Thermo group additivity estimation: group(Sis-SidSis3) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sid-HSis) + other(R) + group(Sid-H2) + other(R)
 S(143) S(143) [SiH2]=[SiH][Si]([SiH3])([SiH3])[SiH3] 180.61
144.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
133.52 67.51 39.09 47.97 57.46 61.06
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sid-HSis)
+ other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
group(Sid-H2) + other(R)
 H8Si5(144) H8Si5(144) [SiH2]=[SiH][SiH2][SiH]=[SiH2] 148.49
145.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
85.79 50.68 42.21 52.40 63.68 68.05
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sis-Sis4)
+ other(R) + group(Sis-H3Sid) + other(R) + group(Sid-H2) + other(R) +
group(Sid-H2) + other(R)
 H8Si5(145) H8Si5(145) [SiH2]=[SiH][Si](=[SiH2])[SiH3] 148.49
146.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
83.39 32.62 41.16 50.78 60.93 64.76
Thermo group additivity estimation: group(Sid-HSis) + other(R) + group(Sis-Sis4)
+ other(R) + group(Sis-Sis4) + other(R) + group(Sis-H3Sid) + other(R) +
group(Sid-H2) + other(R)
 H8Si5(146) H8Si5(146) [SiH2]=[SiH][SiH]=[SiH][SiH3] 148.49
153.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
119.40 110.87 44.05 56.68 72.07 78.21
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2) + radical(SisJ_Si2_H)
 S(153) S(153) [SiH2][SiH][SiH]([SiH3])[SiH3] 150.51
154.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
128.94 126.61 53.05 68.55 87.20 94.58
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si_H2)
 S(154) S(154) [SiH2][SiH][SiH]([SiH3])[SiH2][SiH3] 180.61
155.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
130.43 129.05 53.08 68.68 87.25 94.64
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si_H2)
 S(155) S(155) [SiH2][SiH][SiH2][SiH2][SiH2][SiH3] 180.61
157.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
145.99 99.11 33.74 42.25 52.62 56.75
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si_H2) + radical(SisJ_Si2_H)
 H7Si4(157) H7Si4(157) [SiH2][SiH][SiH][SiH3] 119.40
158.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
82.30 102.83 45.49 59.28 76.41 83.29
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2)
 S(158) S(158) [SiH2][Si]([SiH3])([SiH3])[SiH3] 151.51
162.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
117.65 93.61 32.97 41.67 52.22 56.51
Thermo group additivity estimation: group(Sid-Sis2) + other(R) + group(Sis-
H3Sid) + other(R) + group(Sis-H3Sid) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si_H2)
 H7Si4(162) H7Si4(162) [SiH2][Si](=[SiH2])[SiH3] 119.40
163.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
94.29 125.07 54.38 71.25 91.56 99.73
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2)
 S(163) S(163) [SiH2][SiH2][SiH2][SiH]([SiH3])[SiH3] 181.62
164.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
91.84 118.57 54.50 71.14 91.54 99.67
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2)
 S(164) S(164) [SiH2][SiH2][Si]([SiH3])([SiH3])[SiH3] 181.62
169.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
127.91 109.11 42.00 53.57 67.39 72.90
Thermo group additivity estimation: group(Sid-Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sid) + other(R)
+ group(Sid-H2) + other(R) + radical(SisJ_Si_H2)
 H9Si5(169) H9Si5(169) [SiH2][SiH2][Si](=[SiH2])[SiH3] 149.50
170.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
129.82 108.49 42.17 53.76 67.46 72.95
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sid-
HSis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sid-HSis) + other(R) +
group(Sis-H3Sid) + other(R) + radical(SisJ_Si_H2)
 H9Si5(170) H9Si5(170) [SiH2][SiH2][SiH]=[SiH][SiH3] 149.50
173.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
158.23 114.93 43.13 54.50 67.85 73.17
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2) + radical(SisJ_Si_H2) +
radical(SisJ_Si2_H)
 H9Si5(173) H9Si5(173) [SiH2][SiH][SiH2][SiH2][SiH2] 149.50
174.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
156.74 112.48 43.10 54.37 67.79 73.12
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2) + radical(SisJ_Si_H2) +
radical(SisJ_Si2_H)
 H9Si5(174) H9Si5(174) [SiH2][SiH][SiH]([SiH2])[SiH3] 149.50
175.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
155.53 114.85 42.74 54.12 67.75 73.12
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + radical(SisJ_Si2_H) + radical(SisJ_Si_H2) +
radical(SisJ_Si2_H)
 H9Si5(175) H9Si5(175) [SiH2][SiH][SiH][SiH2][SiH3] 149.50
178.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
166.28 128.22 52.11 66.24 82.92 89.49
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si_H2) + radical(SisJ_Si_H2)
 S(178) S(178) [SiH2][SiH][SiH]([SiH3])[SiH2][SiH2] 179.60
179.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
166.28 128.22 52.11 66.24 82.92 89.49
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si_H2) + radical(SisJ_Si2_H)
 S(179) S(179) [SiH2][SiH][SiH]([SiH2])[SiH2][SiH3] 179.60
180.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
167.77 130.67 52.14 66.37 82.98 89.55
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si_H2) + radical(SisJ_Si_H2)
 S(180) S(180) [SiH2][SiH][SiH2][SiH2][SiH2][SiH2] 179.60
181.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
165.07 130.59 51.75 65.99 82.88 89.49
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si2_H) + radical(SisJ_Si2_H)
 S(181) S(181) [SiH2][SiH][SiH][SiH2][SiH2][SiH3] 179.60
184.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
183.33 99.35 32.80 39.94 48.35 51.66
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si2_H) + radical(SisJ_Si_H2) +
radical(SisJ_Si_H2)
 H6Si4(184) H6Si4(184) [SiH2][SiH][SiH][SiH2] 118.39
185.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
128.94 126.61 53.05 68.55 87.20 94.58
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si2_H)
 S(185) S(185) [SiH2][SiH][SiH2][SiH]([SiH3])[SiH3] 180.61
186.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
126.49 120.11 53.16 68.45 87.18 94.52
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + radical(SisJ_Si2_H)
+ radical(SisJ_Si_H2)
 S(186) S(186) [SiH2][SiH][Si]([SiH3])([SiH3])[SiH3] 180.61
191.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
166.38 111.95 41.16 51.36 63.19 67.86
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sid-H2) + other(R) + radical(SisJ_Si_H2) + radical(SisJ_Si2_H)
 H8Si5(191) H8Si5(191) [SiH2][SiH][SiH2][SiH]=[SiH2] 148.49
192.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
162.56 110.65 40.67 50.88 63.02 67.76
Thermo group additivity estimation: group(Sid-Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sid) + other(R)
+ group(Sid-H2) + other(R) + radical(SisJ_Si_H2) + radical(SisJ_Si2_H)
 H8Si5(192) H8Si5(192) [SiH2][SiH][Si](=[SiH2])[SiH3] 148.49
193.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
163.68 111.87 40.77 50.98 63.10 67.81
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sid-H2) + other(R) + radical(SisJ_Si2_H) + radical(SisJ_Si2_H)
 H8Si5(193) H8Si5(193) [SiH2]=[SiH][SiH][SiH][SiH3] 148.49
80.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
146.64 80.77 23.52 27.85 33.02 35.22
Thermo group additivity estimation: group(Sis-H3Sis) + other(R) + group(Sis-
H2siSis) + other(R) + group(si) + other(R) + radical(SisJ_Si_H2) +
radical(SisJ_SiLP)
 H4Si3(80) H4Si3(80) [SiH2][SiH][SiH3] 88.29
194.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
115.53 92.41 35.67 45.45 57.18 61.94
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SiH3) + radical(SisJ_Si_H2)
 H8Si4(194) H8Si4(194) [SiH2][Si]([SiH3])[SiH3] 120.41
195.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
108.65 96.11 34.68 44.56 56.89 61.84
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si2_H)
 H8Si4(195) H8Si4(195) [SiH3][SiH][SiH][SiH3] 120.41
196.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
125.07 109.53 44.67 57.32 72.31 78.32
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + radical(SiH3) + radical(SisJ_Si_H2)
 S(196) S(196) [SiH2][Si]([SiH3])[SiH2][SiH3] 150.51
197.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
118.19 113.23 43.69 56.43 72.03 78.21
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + radical(SisJ_Si2_H) + radical(SisJ_Si2_H)
 S(197) S(197) [SiH3][SiH][SiH][SiH2][SiH3] 150.51
199.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
178.07 83.75 36.25 44.35 53.76 57.28
Thermo group additivity estimation: group(Sid-Sis2) + other(R) + group(Sis-
H3Sid) + other(R) + group(Sis-H3Sid) + other(R) + group(Sis-Sis4) + other(R) +
group(si) + other(R) + radical(SisJ_Si_H2) + radical(SiJ_LP_Si)
 H6Si5(199) H6Si5(199) [SiH2][SiH]=[Si]([SiH2])[SiH3] 146.48
200.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
179.91 84.73 36.38 44.48 53.88 57.35
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-Sis4) + other(R) +
group(si) + other(R) + radical(SisJ_Si2_H) + radical(SiJ_LP_Si)
 H6Si5(200) H6Si5(200) [SiH2][SiH]=[SiH][SiH][SiH3] 146.48
201.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
132.42 82.80 23.68 29.62 37.24 40.30
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + radical(SiSiSi_triplet) +
radical(SisJ_Si_H2)
 H5Si3(201) H5Si3(201) [SiH2][Si][SiH3] 89.30
202.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
135.80 82.80 24.27 30.06 37.37 40.33
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + radical(SiSiH_triplet) +
radical(SisJ_Si2_H)
 H5Si3(202) H5Si3(202) [SiH][SiH][SiH3] 89.30
205.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
152.88 94.03 34.73 43.14 52.90 56.86
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SiH3) + radical(SisJ_Si_H2) + radical(SisJ_Si_H2)
 H7Si4(205) H7Si4(205) [SiH2][Si]([SiH2])[SiH3] 119.40
208.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
162.42 111.15 43.73 55.01 68.03 73.23
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2) + radical(SisJ_Si_H2) +
radical(SiH3)
 H9Si5(208) H9Si5(208) [SiH2][SiH2][Si]([SiH2])[SiH3] 149.50
209.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
155.53 114.85 42.74 54.12 67.75 73.12
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2) + radical(SisJ_Si2_H) +
radical(SisJ_Si2_H)
 H9Si5(209) H9Si5(209) [SiH2][SiH2][SiH][SiH][SiH3] 149.50
210.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
94.29 125.07 54.38 71.25 91.56 99.73
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2)
 S(210) S(210) [SiH2][SiH]([SiH3])[SiH2][SiH2][SiH3] 181.62
211.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
93.08 127.43 54.02 71.00 91.52 99.73
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H)
 S(211) S(211) [SiH3][SiH][SiH2][SiH2][SiH2][SiH3] 181.62
212.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
120.89 113.31 44.08 56.81 72.12 78.26
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2) + radical(SisJ_Si2_H)
 S(212) S(212) [SiH2][SiH2][SiH2][SiH][SiH3] 150.51
217.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
192.87 115.09 41.80 51.81 63.48 68.04
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2) + radical(SisJ_Si2_H) +
radical(SisJ_Si_H2) + radical(SisJ_Si2_H)
 H8Si5(217) H8Si5(217) [SiH2][SiH][SiH2][SiH][SiH2] 148.49
218.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
197.06 112.69 42.40 52.32 63.66 68.09
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + radical(SiH3) + radical(SisJ_Si_H2) +
radical(SisJ_Si_H2) + radical(SisJ_Si2_H)
 H8Si5(218) H8Si5(218) [SiH2][SiH][Si]([SiH2])[SiH3] 148.49
219.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
190.17 116.39 41.41 51.43 63.39 67.98
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2) + radical(SisJ_Si2_H) +
radical(SisJ_Si2_H) + radical(SisJ_Si2_H)
 H8Si5(219) H8Si5(219) [SiH2][SiH][SiH][SiH][SiH3] 148.49
220.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
130.14 122.87 53.41 68.81 87.24 94.57
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
HSis3) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2)
+ radical(SisJ_Si_H2)
 S(220) S(220) [SiH2][SiH]([SiH3])[SiH]([SiH2])[SiH3] 180.61
221.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
128.94 126.61 53.05 68.55 87.20 94.58
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si2_H)
 S(221) S(221) [SiH2][SiH]([SiH3])[SiH2][SiH][SiH3] 180.61
222.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
127.73 127.59 52.69 68.30 87.16 94.58
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si2_H)
 S(222) S(222) [SiH3][SiH][SiH2][SiH2][SiH][SiH3] 180.61
223.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
156.73 94.91 31.95 39.17 47.87 51.43
Thermo group additivity estimation: group(Sis-H2siSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(si) + other(R) + group(Sis-H3si) + other(R) +
radical(SisJ_SiLP) + radical(SisJ_Si_H2)
 H6Si4(223) H6Si4(223) [SiH2][SiH][SiH2][SiH3] 118.39
224.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
134.61 123.89 53.68 69.19 87.44 94.69
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SiH3)
 S(224) S(224) [SiH2][Si]([SiH2][SiH3])[SiH2][SiH3] 180.61
225.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
127.73 127.59 52.69 68.30 87.16 94.58
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si2_H)
 S(225) S(225) [SiH3][SiH2][SiH][SiH][SiH2][SiH3] 180.61
226.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
175.36 125.28 50.31 63.21 78.36 84.21
Thermo group additivity estimation: group(Sis-HSidSis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) + radical(SisJ_Si2_H) +
radical(SisJ_Si_H2)
 S(226) S(226) [SiH2][SiH][SiH]([SiH3])[SiH]=[SiH2] 178.59
227.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
175.92 127.69 50.16 63.23 78.32 84.24
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2SidSis) + other(R) + group(Sis-H3Sis) +
other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si2_H)
 S(227) S(227) [SiH2][SiH][SiH2][SiH2][SiH]=[SiH2] 178.59
228.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
172.82 126.15 49.70 62.78 78.19 84.15
Thermo group additivity estimation: group(Sid-Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sis-H2SidSis) + other(R) + group(Sis-H3Sis) +
other(R) + group(Sis-H3Sis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si2_H)
 S(228) S(228) [SiH2][SiH][Si](=[SiH2])[SiH2][SiH3] 178.59
229.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
173.22 127.61 49.77 62.85 78.23 84.18
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2SidSis) + other(R) + group(Sis-H3Sis) +
other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si2_H)
 S(229) S(229) [SiH2]=[SiH][SiH][SiH][SiH2][SiH3] 178.59
234.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
141.96 98.54 32.68 41.49 52.38 56.67
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SiSiSi_triplet)
 H7Si4(234) H7Si4(234) [SiH2][Si][SiH2][SiH3] 119.40
235.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
145.34 98.54 33.27 41.93 52.50 56.70
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SiSiH_triplet) + radical(SisJ_Si2_H)
 H7Si4(235) H7Si4(235) [SiH][SiH][SiH2][SiH3] 119.40
238.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
162.42 109.77 43.73 55.01 68.03 73.23
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + radical(SiH3) + radical(SisJ_Si_H2) +
radical(SisJ_Si_H2)
 H9Si5(238) H9Si5(238) [SiH2][Si]([SiH2])[SiH2][SiH3] 149.50
241.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
171.96 126.89 52.73 66.88 83.16 89.60
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + radical(SiH3) +
radical(SisJ_Si_H2) + radical(SisJ_Si_H2)
 S(241) S(241) [SiH2][SiH2][Si]([SiH2])[SiH2][SiH3] 179.60
242.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
165.07 130.59 51.75 65.99 82.88 89.49
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si_H2) + radical(SisJ_Si2_H)
 S(242) S(242) [SiH2][SiH2][SiH][SiH][SiH2][SiH3] 179.60
243.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
130.43 129.05 53.08 68.68 87.25 94.64
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si2_H)
 S(243) S(243) [SiH2][SiH2][SiH2][SiH][SiH2][SiH3] 180.61
248.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
200.92 129.76 50.77 63.56 78.55 84.35
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si_H2) + radical(SisJ_Si2_H) +
radical(SisJ_Si_H2)
 S(248) S(248) [SiH2][SiH][SiH]([SiH3])[SiH][SiH2] 178.59
249.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
202.41 130.83 50.80 63.68 78.61 84.41
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si2_H) + radical(SisJ_Si_H2) +
radical(SisJ_Si_H2)
 S(249) S(249) [SiH2][SiH][SiH2][SiH2][SiH][SiH2] 178.59
250.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
206.60 128.43 51.40 64.19 78.79 84.46
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SiH3) + radical(SisJ_Si2_H) + radical(SisJ_Si_H2)
 S(250) S(250) [SiH2][SiH][Si]([SiH2])[SiH2][SiH3] 178.59
251.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
199.71 132.13 50.41 63.30 78.52 84.35
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si2_H) + radical(SisJ_Si_H2) +
radical(SisJ_Si2_H)
 S(251) S(251) [SiH2][SiH][SiH][SiH][SiH2][SiH3] 178.59
252.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
115.53 97.33 33.40 41.79 52.51 56.70
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SidsJ_Si)
 H7Si4(252) H7Si4(252) [SiH2]=[Si][SiH2][SiH3] 119.40
253.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
115.53 97.33 33.40 41.79 52.51 56.70
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SidsJ_Si)
 H7Si4(253) H7Si4(253) [SiH]=[SiH][SiH2][SiH3] 119.40
254.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
114.05 73.86 32.70 40.48 49.70 53.25
Thermo group additivity estimation: group(Sis-H3si) + other(R) + group(Sis-Sis4)
+ other(R) + group(si) + other(R) + group(Sid-H2) + other(R)
 H6Si4(254) H6Si4(254) [SiH2]=[SiH][SiH2][SiH3] 118.39
255.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
100.83 121.62 51.97 67.78 86.83 94.38
Thermo group additivity estimation: group(Sid-Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sis-H2SidSis) + other(R) + group(Sis-H3Sis) +
other(R) + group(Sis-H3Sis) + other(R) + group(Sid-H2) + other(R)
 S(255) S(255) [SiH2]=[Si]([SiH2][SiH3])[SiH2][SiH3] 180.61
256.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
102.74 121.00 52.14 67.97 86.90 94.44
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-HSis) + other(R) +
group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R)
 S(256) S(256) [SiH3][SiH2][SiH]=[SiH][SiH2][SiH3] 180.61
257.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
143.66 100.36 48.70 61.11 75.27 80.70
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + group(Sid-H2) + other(R)
 S(257) S(257) [SiH2]=[SiH][SiH]([SiH3])[SiH]=[SiH2] 178.59
258.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
149.42 121.80 49.52 62.77 78.04 84.06
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-HSis) + other(R) +
group(Sid-H2) + other(R) + group(Sid-H2) + other(R)
 S(258) S(258) [SiH2]=[SiH][SiH2][SiH2][SiH]=[SiH2] 178.59
259.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
96.05 66.18 51.24 64.30 78.85 84.44
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
Sis4) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-Sis4) + other(R) +
group(Sid-H2) + other(R) + group(Sid-H2) + other(R)
 S(259) S(259) [SiH2]=[SiH][Si](=[SiH2])[SiH2][SiH3] 178.59
260.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
93.65 48.12 50.19 62.68 76.10 81.15
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-Sis4) + other(R) +
group(Sis-Sis4) + other(R) + group(Sid-H2) + other(R)
 S(260) S(260) [SiH2]=[SiH][SiH]=[SiH][SiH2][SiH3] 178.59
265.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
127.91 109.11 42.00 53.57 67.39 72.90
Thermo group additivity estimation: group(Sid-Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sid) + other(R)
+ group(Sid-H2) + other(R) + radical(SisJ_Si_H2)
 H9Si5(265) H9Si5(265) [SiH2][Si](=[SiH2])[SiH2][SiH3] 149.50
266.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
138.17 124.61 51.03 65.47 82.56 89.29
Thermo group additivity estimation: group(Sid-Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sis-H2SidSis) + other(R) + group(Sis-H3Sis) +
other(R) + group(Sis-H3Sis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si_H2)
 S(266) S(266) [SiH2][SiH2][Si](=[SiH2])[SiH2][SiH3] 179.60
267.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
140.08 123.99 51.20 65.65 82.63 89.34
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sid-HSis) + other(R) +
group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2)
 S(267) S(267) [SiH2][SiH2][SiH]=[SiH][SiH2][SiH3] 179.60
68.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
109.30 79.15 24.47 30.15 37.30 40.30
Thermo group additivity estimation: group(Sis-H2siSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(si) + other(R) + radical(SisJ_SiLP)
 H5Si3(68) H5Si3(68) [SiH3][SiH][SiH3] 89.30
268.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
87.73 106.53 45.62 59.64 76.57 83.41
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + radical(SiH3)
 S(268) S(268) [SiH3][SiH2][Si]([SiH3])[SiH3] 151.51
269.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
129.03 110.34 42.10 53.67 67.47 72.95
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sid-H2) + other(R) + radical(SisJ_Si2_H)
 H9Si5(269) H9Si5(269) [SiH2]=[SiH][SiH2][SiH][SiH3] 149.50
270.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
125.28 107.43 41.65 53.25 67.25 72.83
Thermo group additivity estimation: group(Sid-Sis2) + other(R) + group(Sid-HSis)
+ other(R) + group(Sis-H3Sid) + other(R) + group(Sis-H3Sid) + other(R) + group
(Sis-H3Sid) + other(R) + radical(SisJ_Si_H2)
 H9Si5(270) H9Si5(270) [SiH2][SiH]=[Si]([SiH3])[SiH3] 149.50
273.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
95.08 79.80 24.61 31.97 41.49 45.41
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + radical(SiSiSi_triplet)
 H6Si3(273) H6Si3(273) [SiH3][Si][SiH3] 90.30
275.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
125.07 108.15 44.67 57.32 72.31 78.32
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + radical(SiH3) + radical(SisJ_Si_H2)
 S(275) S(275) [SiH2][SiH2][Si]([SiH3])[SiH3] 150.51
278.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
155.53 114.85 42.74 54.12 67.75 73.12
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2) + radical(SisJ_Si2_H) +
radical(SisJ_Si2_H)
 H9Si5(278) H9Si5(278) [SiH2][SiH][SiH2][SiH][SiH3] 149.50
279.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
159.72 109.69 43.34 54.63 67.94 73.18
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + radical(SiH3) + radical(SisJ_Si2_H) +
radical(SisJ_Si_H2)
 H9Si5(279) H9Si5(279) [SiH2][SiH][Si]([SiH3])[SiH3] 149.50
280.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
92.80 122.63 54.35 71.12 91.51 99.67
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
HSis3) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + radical(SisJ_Si_H2)
 S(280) S(280) [SiH2][SiH]([SiH3])[SiH]([SiH3])[SiH3] 181.62
281.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
91.59 124.99 53.99 70.87 91.47 99.67
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H)
 S(281) S(281) [SiH3][SiH][SiH2][SiH]([SiH3])[SiH3] 181.62
282.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
55.46 119.63 55.31 73.50 95.76 104.80
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
HSis3) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R)
 S(282) S(282) [SiH3][SiH]([SiH3])[SiH]([SiH3])[SiH3] 182.62
285.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
82.05 109.25 44.99 59.01 76.33 83.30
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + radical(SisJ_Si2_H)
 S(285) S(285) [SiH3][SiH][SiH]([SiH3])[SiH3] 151.51
286.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
91.59 124.99 53.99 70.87 91.47 99.67
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H)
 S(286) S(286) [SiH3][SiH][SiH]([SiH3])[SiH2][SiH3] 181.62
292.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
119.40 110.87 44.05 56.68 72.07 78.21
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + radical(SisJ_Si2_H) + radical(SisJ_Si_H2)
 S(292) S(292) [SiH2][SiH]([SiH3])[SiH][SiH3] 150.51
294.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
128.94 126.61 53.05 68.55 87.20 94.58
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si_H2)
 S(294) S(294) [SiH2][SiH2][SiH]([SiH3])[SiH][SiH3] 180.61
295.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
128.94 126.61 53.05 68.55 87.20 94.58
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si_H2)
 S(295) S(295) [SiH2][SiH]([SiH][SiH3])[SiH2][SiH3] 180.61
296.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
130.43 129.05 53.08 68.68 87.25 94.64
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si2_H)
 S(296) S(296) [SiH2][SiH2][SiH2][SiH2][SiH][SiH3] 180.61
297.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
127.73 128.97 52.69 68.30 87.16 94.58
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si2_H)
 S(297) S(297) [SiH3][SiH][SiH][SiH2][SiH2][SiH3] 180.61
298.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
89.14 118.49 54.11 70.76 91.45 99.61
Thermo group additivity estimation: group(Sis-Sis4) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + radical(SisJ_Si2_H)
 S(298) S(298) [SiH3][SiH][Si]([SiH3])([SiH3])[SiH3] 181.62
303.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
125.21 109.03 41.61 53.19 67.30 72.84
Thermo group additivity estimation: group(Sid-Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sid) + other(R)
+ group(Sid-H2) + other(R) + radical(SisJ_Si2_H)
 H9Si5(303) H9Si5(303) [SiH2]=[Si]([SiH3])[SiH][SiH3] 149.50
304.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
127.12 108.41 41.78 53.38 67.37 72.90
Thermo group additivity estimation: group(Sis-H2SidSis) + other(R) + group(Sid-
HSis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sid-HSis) + other(R) +
group(Sis-H3Sid) + other(R) + radical(SisJ_Si2_H)
 H9Si5(304) H9Si5(304) [SiH3][SiH][SiH]=[SiH][SiH3] 149.50
307.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
159.72 111.07 43.34 54.63 67.94 73.18
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + radical(SiH3) + radical(SisJ_Si2_H) +
radical(SisJ_Si_H2)
 H9Si5(307) H9Si5(307) [SiH2][Si]([SiH3])[SiH][SiH3] 149.50
308.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
152.83 113.39 42.35 53.74 67.66 73.07
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + radical(SisJ_Si2_H) + radical(SisJ_Si2_H) +
radical(SisJ_Si2_H)
 H9Si5(308) H9Si5(308) [SiH3][SiH][SiH][SiH][SiH3] 149.50
311.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
163.58 128.15 51.72 65.86 82.83 89.44
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si2_H) + radical(SisJ_Si2_H)
 S(311) S(311) [SiH2][SiH][SiH]([SiH3])[SiH][SiH3] 179.60
312.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
165.07 130.59 51.75 65.99 82.88 89.49
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si_H2) + radical(SisJ_Si2_H) + radical(SisJ_Si2_H)
 S(312) S(312) [SiH2][SiH][SiH2][SiH2][SiH][SiH3] 179.60
313.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
169.26 126.81 52.34 66.50 83.07 89.55
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SiH3) + radical(SisJ_Si_H2)
 S(313) S(313) [SiH2][Si]([SiH][SiH3])[SiH2][SiH3] 179.60
314.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
162.37 130.51 51.36 65.61 82.79 89.44
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si2_H) + radical(SisJ_Si2_H)
 S(314) S(314) [SiH3][SiH][SiH][SiH][SiH2][SiH3] 179.60
315.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
138.01 123.66 51.25 65.52 82.63 89.30
Thermo group additivity estimation: group(Sis-HSidSis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) + radical(SisJ_Si2_H)
 S(315) S(315) [SiH2]=[SiH][SiH]([SiH3])[SiH][SiH3] 179.60
316.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
138.57 126.08 51.11 65.54 82.60 89.32
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2SidSis) + other(R) + group(Sis-H3Sis) +
other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si2_H)
 S(316) S(316) [SiH2]=[SiH][SiH2][SiH2][SiH][SiH3] 179.60
317.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
135.47 124.53 50.64 65.09 82.47 89.24
Thermo group additivity estimation: group(Sid-Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sis-H2SidSis) + other(R) + group(Sis-H3Sis) +
other(R) + group(Sis-H3Sis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si2_H)
 S(317) S(317) [SiH2]=[Si]([SiH][SiH3])[SiH2][SiH3] 179.60
318.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
136.66 124.15 50.78 65.24 82.50 89.27
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sid-HSis) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sid-HSis) + other(R) + group(Sis-H3Sid) + other(R) + radical(SisJ_Si2_H)
 S(318) S(318) [SiH3][SiH]=[SiH][SiH][SiH2][SiH3] 179.60
320.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
118.19 111.85 43.69 56.43 72.03 78.21
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + radical(SisJ_Si2_H) + radical(SisJ_Si2_H)
 S(320) S(320) [SiH3][SiH][SiH2][SiH][SiH3] 150.51
321.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
122.38 108.07 44.28 56.94 72.21 78.26
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
group(Sis-H3Sis) + other(R) + radical(SiH3) + radical(SisJ_Si2_H)
 S(321) S(321) [SiH3][SiH][Si]([SiH3])[SiH3] 150.51
324.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
119.39 93.30 32.89 41.48 52.15 56.51
Thermo group additivity estimation: group(Sis-H2siSis) + other(R) + group(Sis-
H3Sis) + other(R) + group(si) + other(R) + group(Sis-H3si) + other(R) +
radical(SisJ_SiLP)
 H7Si4(324) H7Si4(324) [SiH3][SiH][SiH2][SiH3] 119.40
84.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
109.73 73.42 21.26 27.26 34.88 38.16
Thermo group additivity estimation: group(Sis-H3Sis) + other(R) + group(Sis-
H2siSis) + other(R) + group(si) + other(R) + radical(SiJ_LP_Si)
 H5Si3(84) H5Si3(84) [SiH2][SiH2][SiH3] 89.30
325.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
97.27 122.27 54.62 71.50 91.71 99.78
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + radical(SiH3)
 S(325) S(325) [SiH3][SiH2][Si]([SiH3])[SiH2][SiH3] 181.62
326.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
135.54 122.93 50.68 65.15 82.42 89.22
Thermo group additivity estimation: group(Sid-Sis2) + other(R) + group(Sis-
H2SidSis) + other(R) + group(Sis-H3Sis) + other(R) + group(Sid-HSis) + other(R)
+ group(Sis-H3Sid) + other(R) + group(Sis-H3Sid) + other(R) +
radical(SisJ_Si_H2)
 S(326) S(326) [SiH2][SiH]=[Si]([SiH3])[SiH2][SiH3] 179.60
327.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
138.57 126.08 51.11 65.54 82.60 89.32
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2SidSis) + other(R) + group(Sis-H3Sis) +
other(R) + group(Sid-HSis) + other(R) + group(Sid-H2) + other(R) +
radical(SisJ_Si2_H)
 S(327) S(327) [SiH2]=[SiH][SiH2][SiH][SiH2][SiH3] 179.60
332.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
104.62 96.92 33.63 43.84 56.63 61.79
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SiSiSi_triplet)
 H8Si4(332) H8Si4(332) [SiH3][Si][SiH2][SiH3] 120.41
335.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
134.61 125.27 53.68 69.19 87.44 94.69
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + radical(SiH3) +
radical(SisJ_Si_H2)
 S(335) S(335) [SiH2][SiH2][Si]([SiH3])[SiH2][SiH3] 180.61
338.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
169.26 126.81 52.34 66.50 83.07 89.55
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) + radical(SiH3) +
radical(SisJ_Si2_H) + radical(SisJ_Si_H2)
 S(338) S(338) [SiH2][SiH][Si]([SiH3])[SiH2][SiH3] 179.60
339.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
165.07 130.59 51.75 65.99 82.88 89.49
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si2_H) + radical(SisJ_Si_H2)
 S(339) S(339) [SiH2][SiH][SiH2][SiH][SiH2][SiH3] 179.60
341.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
126.24 126.53 52.66 68.17 87.11 94.53
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si2_H)
 S(341) S(341) [SiH3][SiH][SiH]([SiH3])[SiH][SiH3] 180.61
342.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
131.92 125.19 53.29 68.81 87.34 94.64
Thermo group additivity estimation: group(Sis-HSis3) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H3Sis) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SiH3)
 S(342) S(342) [SiH3][SiH][Si]([SiH3])[SiH2][SiH3] 180.61
343.
H298 S298 Cp300 Cp500 Cp1000 Cp1500
127.73 128.97 52.69 68.30 87.16 94.58
Thermo group additivity estimation: group(Sis-H2Sis2) + other(R) + group(Sis-
H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R) + group(Sis-H2Sis2) + other(R)
+ group(Sis-H3Sis) + other(R) + group(Sis-H3Sis) + other(R) +
radical(SisJ_Si2_H) + radical(SisJ_Si2_H)
 S(343) S(343) [SiH3][SiH][SiH2][SiH][SiH2][SiH3] 180.61

Reactions (746)

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Reaction List:

IndexReactionFamily
15. H2(3) + H2Si2(14) ⇔ SiH3SiH(5) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.8+7.0+7.1+7.1
Arrhenius(A=(1.52e+13,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -36.36
S298 (cal/mol*K) = -24.43
G298 (kcal/mol) = -29.07
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), SiH3SiH(5); H2Si2(14), SiH3SiH(5); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 4 H2(3)+H2Si2(14)=SiH3SiH(5) 1.520e+13 0.000 0.800
16. SiH2(2) + SiH3SiH(5) ⇔ H6Si3(15) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+8.1+8.0+8.0
Arrhenius(A=(9.3e+13,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -48.99
S298 (cal/mol*K) = -40.32
G298 (kcal/mol) = -36.98
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H6Si3(15); SiH3SiH(5), H6Si3(15); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH2(2)+SiH3SiH(5)=H6Si3(15) 9.300e+13 0.000 -0.454
18. SiH3SiH(5) + SiH3SiH(5) ⇔ H8Si4(17) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -49.01
S298 (cal/mol*K) = -45.04
G298 (kcal/mol) = -35.59
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H8Si4(17); SiH3SiH(5), H8Si4(17); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH3SiH(5)+SiH3SiH(5)=H8Si4(17) 1.800e+10 0.000 -9.100
19. H(9) + H3Si2(18) ⇔ H4Si2(7) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -82.79
S298 (cal/mol*K) = -33.07
G298 (kcal/mol) = -72.93
! Template reaction: R_Recombination ! Flux pairs: H3Si2(18), H4Si2(7); H(9), H4Si2(7); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(9)+H3Si2(18)=H4Si2(7) 7.206e+12 0.101 -0.195
23. H(9) + HSi2(22) ⇔ H2Si2(19) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -82.79
S298 (cal/mol*K) = -33.07
G298 (kcal/mol) = -72.93
! Template reaction: R_Recombination ! Flux pairs: HSi2(22), H2Si2(19); H(9), H2Si2(19); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(9)+HSi2(22)=H2Si2(19) 7.206e+12 0.101 -0.195
24. H2Si2(14) ⇔ H2Si2(19) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.6+6.9+7.0+7.1
Arrhenius(A=(1.58e+13,'cm^3/(mol*s)'), n=0, Ea=(5.3095,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(1600,'K'), comment="""Estimated using template (SiRSiH) for rate rule (SiHSiH) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -9.22
S298 (cal/mol*K) = 17.59
G298 (kcal/mol) = -14.46
! Template reaction: Silylene_to_Silene ! Flux pairs: H2Si2(14), H2Si2(19); ! Estimated using template (SiRSiH) for rate rule (SiHSiH) ! Multiplied by reaction path degeneracy 2 H2Si2(14)=H2Si2(19) 1.580e+07 0.000 1.269
27. SiH2(2) + H2Si2(19) ⇔ H4Si3(24) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.8+7.7+7.0+6.7
Arrhenius(A=(462582,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -55.24
S298 (cal/mol*K) = -34.36
G298 (kcal/mol) = -45.01
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H4Si3(24); H2Si2(19), H4Si3(24); ! Estimated using an average for rate rule (SiH2;Si_H) ! Multiplied by reaction path degeneracy 2 SiH2(2)+H2Si2(19)=H4Si3(24) 4.626e+11 0.000 -9.392
29. SiH3SiH(5) + H2Si2(19) ⇔ H6Si4(25) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -54.54
S298 (cal/mol*K) = -39.33
G298 (kcal/mol) = -42.82
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H6Si4(25); H2Si2(19), H6Si4(25); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 2 SiH3SiH(5)+H2Si2(19)=H6Si4(25) 1.200e+10 0.000 -9.100
30. H4Si2(7) + H2Si2(19) ⇔ H6Si4(27) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -88.36
S298 (cal/mol*K) = -127.64
G298 (kcal/mol) = -50.32
! Template reaction: Silylene_Insertion ! Flux pairs: H4Si2(7), H6Si4(27); H2Si2(19), H6Si4(27); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 4 H4Si2(7)+H2Si2(19)=H6Si4(27) 7.440e+14 0.000 -0.454
31. H2Si2(19) + H2Si2(19) ⇔ H4Si4(28) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -90.76
S298 (cal/mol*K) = -124.37
G298 (kcal/mol) = -53.70
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H4Si4(28); H2Si2(19), H4Si4(28); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H2Si2(19)+H2Si2(19)=H4Si4(28) 3.720e+14 0.000 -0.454
35. H2(3) + H6Si3(15) ⇔ Si3H8(6) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.9+6.3+6.5+6.6
Arrhenius(A=(6.02e+12,'cm^3/(mol*s)'), n=0, Ea=(2.1,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Matched reaction 13 Si2H5SiH + H2 <=> Si3H8-1 in Silylene_Insertion/training""")
H298 (kcal/mol) = -56.49
S298 (cal/mol*K) = -33.19
G298 (kcal/mol) = -46.60
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), Si3H8(6); H6Si3(15), Si3H8(6); ! Matched reaction 13 Si2H5SiH + H2 <=> Si3H8-1 in Silylene_Insertion/training H2(3)+H6Si3(15)=Si3H8(6) 6.020e+12 0.000 2.100
38. SiH3SiH(5) + Si3H8(6) ⇔ H12Si5(35) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+6.5+5.9+5.6
Arrhenius(A=(36000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -53.35
S298 (cal/mol*K) = -38.54
G298 (kcal/mol) = -41.86
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H12Si5(35); Si3H8(6), H12Si5(35); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 6 SiH3SiH(5)+Si3H8(6)=H12Si5(35) 3.600e+10 0.000 -9.100
39. SiH3SiH(5) + Si3H8(6) ⇔ H12Si5(36) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -54.84
S298 (cal/mol*K) = -39.61
G298 (kcal/mol) = -43.04
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H12Si5(36); Si3H8(6), H12Si5(36); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 2 SiH3SiH(5)+Si3H8(6)=H12Si5(36) 1.200e+10 0.000 -9.100
40. Si3H8(6) + H2Si2(19) ⇔ H10Si5(37) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.1+9.1+9.1
Arrhenius(A=(1.116e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -49.30
G298 (kcal/mol) = -20.30
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H10Si5(37); Si3H8(6), H10Si5(37); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 6 Si3H8(6)+H2Si2(19)=H10Si5(37) 1.116e+15 0.000 -0.454
41. Si3H8(6) + H2Si2(19) ⇔ H10Si5(38) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -35.55
S298 (cal/mol*K) = -51.72
G298 (kcal/mol) = -20.14
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H10Si5(38); Si3H8(6), H10Si5(38); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 Si3H8(6)+H2Si2(19)=H10Si5(38) 3.720e+14 0.000 -0.454
46. H2(3) + H8Si4(43) ⇔ H10Si4(16) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -57.04
S298 (cal/mol*K) = -31.60
G298 (kcal/mol) = -47.62
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H10Si4(16); H8Si4(43), H10Si4(16); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(3)+H8Si4(43)=H10Si4(16) 2.400e+13 0.000 -0.500
47. SiH4(1) + H6Si3(15) ⇔ H10Si4(16) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.3+6.4+5.8+5.5
Arrhenius(A=(3.8e+10,'cm^3/(mol*s)'), n=0, Ea=(-8.5,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Matched reaction 9 Si2H5SiH + SiH4 <=> nSi4H10 in Silylene_Insertion/training""")
H298 (kcal/mol) = -52.52
S298 (cal/mol*K) = -35.09
G298 (kcal/mol) = -42.07
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(1), H10Si4(16); H6Si3(15), H10Si4(16); ! Matched reaction 9 Si2H5SiH + SiH4 <=> nSi4H10 in Silylene_Insertion/training SiH4(1)+H6Si3(15)=H10Si4(16) 3.800e+10 0.000 -8.500
49. SiH2(2) + H10Si4(16) ⇔ H12Si5(36) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.7+8.1+7.3+6.8
Arrhenius(A=(3.8e+11,'cm^3/(mol*s)'), n=0, Ea=(-48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiH2;SiH2_R2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -54.82
S298 (cal/mol*K) = -34.88
G298 (kcal/mol) = -44.43
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H12Si5(36); H10Si4(16), H12Si5(36); ! Exact match found for rate rule (SiH2;SiH2_R2) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H10Si4(16)=H12Si5(36) 3.800e+11 0.000 -11.600
50. SiH2(2) + H10Si4(16) ⇔ H12Si5(35) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -53.33
S298 (cal/mol*K) = -33.81
G298 (kcal/mol) = -43.26
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H12Si5(35); H10Si4(16), H12Si5(35); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 6 SiH2(2)+H10Si4(16)=H12Si5(35) 1.860e+14 0.000 -0.454
55. SiH3SiH(5) + H10Si4(16) ⇔ H14Si6(44) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.4+6.4+5.7+5.4
Arrhenius(A=(24000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -54.84
S298 (cal/mol*K) = -39.61
G298 (kcal/mol) = -43.04
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H14Si6(44); H10Si4(16), H14Si6(44); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 4 SiH3SiH(5)+H10Si4(16)=H14Si6(44) 2.400e+10 0.000 -9.100
56. SiH3SiH(5) + H10Si4(16) ⇔ H14Si6(45) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+6.5+5.9+5.6
Arrhenius(A=(36000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -53.35
S298 (cal/mol*K) = -38.54
G298 (kcal/mol) = -41.86
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H14Si6(45); H10Si4(16), H14Si6(45); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 6 SiH3SiH(5)+H10Si4(16)=H14Si6(45) 3.600e+10 0.000 -9.100
59. H4Si2(7) + H3Si(8) ⇔ SiH4(1) + H3Si2(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -9.64
S298 (cal/mol*K) = 2.69
G298 (kcal/mol) = -10.44
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(18); H3Si(8), SiH4(1); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H3Si(8)=SiH4(1)+H3Si2(18) 1.558e+03 3.620 -0.129
60. H10Si4(16) + H2Si2(19) ⇔ H12Si6(46) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -35.55
S298 (cal/mol*K) = -51.72
G298 (kcal/mol) = -20.14
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H12Si6(46); H10Si4(16), H12Si6(46); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 4 H10Si4(16)+H2Si2(19)=H12Si6(46) 7.440e+14 0.000 -0.454
61. H10Si4(16) + H2Si2(19) ⇔ H12Si6(47) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.1+9.1+9.1
Arrhenius(A=(1.116e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -49.30
G298 (kcal/mol) = -20.30
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H12Si6(47); H10Si4(16), H12Si6(47); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 6 H10Si4(16)+H2Si2(19)=H12Si6(47) 1.116e+15 0.000 -0.454
62. H3Si(8) + H2Si2(19) ⇔ SiH4(1) + HSi2(22) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -9.64
S298 (cal/mol*K) = 2.69
G298 (kcal/mol) = -10.44
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(19), HSi2(22); H3Si(8), SiH4(1); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 4 H3Si(8)+H2Si2(19)=SiH4(1)+HSi2(22) 7.792e+02 3.620 -0.129
63. H3Si(8) + H2Si2(19) ⇔ H5Si3(48) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -33.52
S298 (cal/mol*K) = -53.45
G298 (kcal/mol) = -17.59
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H5Si3(48); H3Si(8), H5Si3(48); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 3 H3Si(8)+H2Si2(19)=H5Si3(48) 5.580e+14 0.000 -0.454
68. H3Si(8) + H3Si(8) ⇔ SiH4(1) + H2Si(52) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.4+6.6+7.1+7.4
Arrhenius(A=(9458.08,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Si_silyl) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -1.33
S298 (cal/mol*K) = -3.38
G298 (kcal/mol) = -0.33
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), H2Si(52); H3Si(8), SiH4(1); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Si_silyl) ! Multiplied by reaction path degeneracy 3 H3Si(8)+H3Si(8)=SiH4(1)+H2Si(52) 9.458e+09 1.172 4.009
82. H4Si2(7) + H5Si2(11) ⇔ Si2H6(4) + H3Si2(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(18); H5Si2(11), Si2H6(4); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H5Si2(11)=Si2H6(4)+H3Si2(18) 1.558e+03 3.620 -0.129
83. SiH2(2) + H3Si2(18) ⇔ H4Si2(7) + HSi(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.53
S298 (cal/mol*K) = -7.87
G298 (kcal/mol) = -1.19
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(18), H4Si2(7); SiH2(2), HSi(10); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H3Si2(18)=H4Si2(7)+HSi(10) 7.792e+02 3.620 -0.129
84. H4Si2(7) + HSi(10) ⇔ H5Si3(48) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -42.65
S298 (cal/mol*K) = -32.42
G298 (kcal/mol) = -32.99
! Template reaction: Silylene_Insertion ! Flux pairs: H4Si2(7), H5Si3(48); HSi(10), H5Si3(48); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 4 H4Si2(7)+HSi(10)=H5Si3(48) 7.440e+14 0.000 -0.454
85. H5Si2(11) + H2Si2(19) ⇔ Si2H6(4) + HSi2(22) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(19), HSi2(22); H5Si2(11), Si2H6(4); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H5Si2(11)+H2Si2(19)=Si2H6(4)+HSi2(22) 7.792e+02 3.620 -0.129
86. H5Si2(11) + H2Si2(19) ⇔ H7Si4(55) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -30.68
S298 (cal/mol*K) = -54.55
G298 (kcal/mol) = -14.43
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H7Si4(55); H5Si2(11), H7Si4(55); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H5Si2(11)+H2Si2(19)=H7Si4(55) 5.580e+14 0.000 -0.454
87. H5Si2(11) + H2Si2(19) ⇔ H7Si4(56) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -33.38
S298 (cal/mol*K) = -54.63
G298 (kcal/mol) = -17.10
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H7Si4(56); H5Si2(11), H7Si4(56); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H5Si2(11)+H2Si2(19)=H7Si4(56) 3.720e+14 0.000 -0.454
88. SiH2(2) + HSi2(22) ⇔ HSi(10) + H2Si2(19) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.53
S298 (cal/mol*K) = -7.87
G298 (kcal/mol) = -1.19
! Template reaction: H_Abstraction ! Flux pairs: HSi2(22), H2Si2(19); SiH2(2), HSi(10); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 SiH2(2)+HSi2(22)=HSi(10)+H2Si2(19) 7.792e+02 3.620 -0.129
94. Si3H8(6) + HSi(10) ⇔ H9Si4(59) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -44.63
S298 (cal/mol*K) = -31.04
G298 (kcal/mol) = -35.38
! Template reaction: Silylene_Insertion ! Flux pairs: Si3H8(6), H9Si4(59); HSi(10), H9Si4(59); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 Si3H8(6)+HSi(10)=H9Si4(59) 3.720e+14 0.000 -0.454
99. HSi(10) + H10Si4(16) ⇔ H11Si5(60) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -44.63
S298 (cal/mol*K) = -31.04
G298 (kcal/mol) = -35.38
! Template reaction: Silylene_Insertion ! Flux pairs: H10Si4(16), H11Si5(60); HSi(10), H11Si5(60); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 4 HSi(10)+H10Si4(16)=H11Si5(60) 7.440e+14 0.000 -0.454
100. HSi(10) + H10Si4(16) ⇔ H11Si5(61) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.1+9.1+9.1
Arrhenius(A=(1.116e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -43.14
S298 (cal/mol*K) = -28.60
G298 (kcal/mol) = -34.62
! Template reaction: Silylene_Insertion ! Flux pairs: H10Si4(16), H11Si5(61); HSi(10), H11Si5(61); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 6 HSi(10)+H10Si4(16)=H11Si5(61) 1.116e+15 0.000 -0.454
101. Si2H6(4) + H2Si(52) ⇔ H3Si(8) + H5Si2(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.3+6.2+7.0+7.4
Arrhenius(A=(669.706,'m^3/(mol*s)'), n=1.61699, Ea=(27.5016,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -1.65
S298 (cal/mol*K) = 3.41
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H2Si(52), H3Si(8); Si2H6(4), H5Si2(11); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 18 Si2H6(4)+H2Si(52)=H3Si(8)+H5Si2(11) 6.697e+08 1.617 6.573
103. H3Si(8) + H5Si2(11) ⇔ SiH4(1) + H4Si2(62) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -6.33
S298 (cal/mol*K) = -1.99
G298 (kcal/mol) = -5.74
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H5Si2(11), H4Si2(62); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 2 H3Si(8)+H5Si2(11)=SiH4(1)+H4Si2(62) 6.305e+09 1.172 4.009
104. SiH2(2) + H2Si(52) ⇔ H3Si(8) + HSi(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.2351,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -11.84
S298 (cal/mol*K) = -1.80
G298 (kcal/mol) = -11.30
! Template reaction: H_Abstraction ! Flux pairs: H2Si(52), H3Si(8); SiH2(2), HSi(10); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H2Si(52)=H3Si(8)+HSi(10) 1.488e+08 1.617 6.509
107. H5Si2(11) + H5Si2(11) ⇔ Si2H6(4) + H4Si2(62) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), H4Si2(62); H5Si2(11), Si2H6(4); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H5Si2(11)+H5Si2(11)=Si2H6(4)+H4Si2(62) 6.305e+09 1.172 4.009
109. SiH2(2) + H4Si2(62) ⇔ H5Si2(11) + HSi(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.3658,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.84
S298 (cal/mol*K) = -3.19
G298 (kcal/mol) = -5.89
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(62), H5Si2(11); SiH2(2), HSi(10); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H4Si2(62)=H5Si2(11)+HSi(10) 1.488e+08 1.617 6.541
110. H5Si2(11) + HSi(10) ⇔ H6Si3(15) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -57.03
S298 (cal/mol*K) = -36.50
G298 (kcal/mol) = -46.15
! Template reaction: R_Recombination ! Flux pairs: H5Si2(11), H6Si3(15); HSi(10), H6Si3(15); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H5Si2(11)+HSi(10)=H6Si3(15) 7.206e+12 0.101 -0.195
111. H5Si2(11) + HSi(10) ⇔ H6Si3(64) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -38.84
S298 (cal/mol*K) = -35.22
G298 (kcal/mol) = -28.34
! Template reaction: Silylene_Insertion ! Flux pairs: H5Si2(11), H6Si3(64); HSi(10), H6Si3(64); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H5Si2(11)+HSi(10)=H6Si3(64) 5.580e+14 0.000 -0.454
113. HSi(10) + HSi(10) ⇔ H2Si2(14) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -71.26
S298 (cal/mol*K) = -31.45
G298 (kcal/mol) = -61.89
! Template reaction: R_Recombination ! Flux pairs: HSi(10), H2Si2(14); HSi(10), H2Si2(14); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) HSi(10)+HSi(10)=H2Si2(14) 7.206e+12 0.101 -0.195
118. SiH3SiH(5) + H3Si2(18) ⇔ H4Si2(7) + H3Si2(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -6.22
! Template reaction: H_Abstraction ! Flux pairs: H3Si2(18), H4Si2(7); SiH3SiH(5), H3Si2(12); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H3Si2(18)=H4Si2(7)+H3Si2(12) 1.753e+03 3.620 -0.129
119. H4Si2(7) + H3Si2(12) ⇔ H7Si4(55) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.4+6.4+5.7+5.4
Arrhenius(A=(24000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -37.78
S298 (cal/mol*K) = -40.31
G298 (kcal/mol) = -25.77
! Template reaction: Silylene_Insertion ! Flux pairs: H4Si2(7), H7Si4(55); H3Si2(12), H7Si4(55); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 4 H4Si2(7)+H3Si2(12)=H7Si4(55) 2.400e+10 0.000 -9.100
120. SiH3SiH(5) + HSi2(22) ⇔ H3Si2(12) + H2Si2(19) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -4.95
G298 (kcal/mol) = -6.22
! Template reaction: H_Abstraction ! Flux pairs: HSi2(22), H2Si2(19); SiH3SiH(5), H3Si2(12); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+HSi2(22)=H3Si2(12)+H2Si2(19) 1.753e+03 3.620 -0.129
123. Si3H8(6) + H3Si2(12) ⇔ H11Si5(61) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+6.5+5.9+5.6
Arrhenius(A=(36000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -39.00
S298 (cal/mol*K) = -36.24
G298 (kcal/mol) = -28.20
! Template reaction: Silylene_Insertion ! Flux pairs: Si3H8(6), H11Si5(61); H3Si2(12), H11Si5(61); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 6 Si3H8(6)+H3Si2(12)=H11Si5(61) 3.600e+10 0.000 -9.100
124. Si3H8(6) + H3Si2(12) ⇔ H11Si5(73) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -40.49
S298 (cal/mol*K) = -38.69
G298 (kcal/mol) = -28.96
! Template reaction: Silylene_Insertion ! Flux pairs: Si3H8(6), H11Si5(73); H3Si2(12), H11Si5(73); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 2 Si3H8(6)+H3Si2(12)=H11Si5(73) 1.200e+10 0.000 -9.100
127. H3Si2(12) + H10Si4(16) ⇔ H13Si6(74) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.4+6.4+5.7+5.4
Arrhenius(A=(24000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -40.49
S298 (cal/mol*K) = -38.69
G298 (kcal/mol) = -28.96
! Template reaction: Silylene_Insertion ! Flux pairs: H10Si4(16), H13Si6(74); H3Si2(12), H13Si6(74); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 4 H3Si2(12)+H10Si4(16)=H13Si6(74) 2.400e+10 0.000 -9.100
128. H3Si2(12) + H10Si4(16) ⇔ H13Si6(75) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+6.5+5.9+5.6
Arrhenius(A=(36000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -39.00
S298 (cal/mol*K) = -36.24
G298 (kcal/mol) = -28.20
! Template reaction: Silylene_Insertion ! Flux pairs: H10Si4(16), H13Si6(75); H3Si2(12), H13Si6(75); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 6 H3Si2(12)+H10Si4(16)=H13Si6(75) 3.600e+10 0.000 -9.100
129. SiH3SiH(5) + H2Si(52) ⇔ H3Si(8) + H3Si2(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.1+6.0+6.7+7.2
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.1263,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -16.00
S298 (cal/mol*K) = 1.12
G298 (kcal/mol) = -16.33
! Template reaction: H_Abstraction ! Flux pairs: H2Si(52), H3Si(8); SiH3SiH(5), H3Si2(12); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H2Si(52)=H3Si(8)+H3Si2(12) 3.349e+08 1.617 6.483
131. SiH3SiH(5) + H4Si2(62) ⇔ H5Si2(11) + H3Si2(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+6.0+6.7+7.2
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.257,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -11.00
S298 (cal/mol*K) = -0.27
G298 (kcal/mol) = -10.92
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(62), H5Si2(11); SiH3SiH(5), H3Si2(12); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H4Si2(62)=H5Si2(11)+H3Si2(12) 3.349e+08 1.617 6.515
132. H5Si2(11) + H3Si2(12) ⇔ H8Si4(77) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -34.69
S298 (cal/mol*K) = -42.87
G298 (kcal/mol) = -21.92
! Template reaction: Silylene_Insertion ! Flux pairs: H5Si2(11), H8Si4(77); H3Si2(12), H8Si4(77); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H5Si2(11)+H3Si2(12)=H8Si4(77) 1.800e+10 0.000 -9.100
133. H5Si2(11) + H3Si2(12) ⇔ H8Si4(78) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -37.39
S298 (cal/mol*K) = -41.57
G298 (kcal/mol) = -25.00
! Template reaction: Silylene_Insertion ! Flux pairs: H5Si2(11), H8Si4(78); H3Si2(12), H8Si4(78); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 2 H5Si2(11)+H3Si2(12)=H8Si4(78) 1.200e+10 0.000 -9.100
135. H6Si3(64) + H(9) ⇔ H7Si3(31) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -89.44
S298 (cal/mol*K) = -27.66
G298 (kcal/mol) = -81.20
! Template reaction: R_Recombination ! Flux pairs: H6Si3(64), H7Si3(31); H(9), H7Si3(31); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) ! Multiplied by reaction path degeneracy 2 H6Si3(64)+H(9)=H7Si3(31) 1.441e+13 0.101 -0.195
137. H2(3) + H5Si3(54) ⇔ H7Si3(31) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -56.49
S298 (cal/mol*K) = -31.82
G298 (kcal/mol) = -47.01
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H7Si3(31); H5Si3(54), H7Si3(31); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H2(3)+H5Si3(54)=H7Si3(31) 7.600e+12 0.000 0.800
139. SiH2(2) + H7Si3(31) ⇔ H9Si4(59) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.3+7.8+7.0+6.5
Arrhenius(A=(1.9e+11,'cm^3/(mol*s)'), n=0, Ea=(-48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiH2;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -54.83
S298 (cal/mol*K) = -36.26
G298 (kcal/mol) = -44.02
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H9Si4(59); H7Si3(31), H9Si4(59); ! Exact match found for rate rule (SiH2;SiH2_R2) ! Multiplied by reaction path degeneracy 2 SiH2(2)+H7Si3(31)=H9Si4(59) 1.900e+11 0.000 -11.600
142. SiH3SiH(5) + H7Si3(31) ⇔ H11Si5(61) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -53.35
S298 (cal/mol*K) = -38.54
G298 (kcal/mol) = -41.86
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H11Si5(61); H7Si3(31), H11Si5(61); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH3SiH(5)+H7Si3(31)=H11Si5(61) 1.800e+10 0.000 -9.100
143. SiH3SiH(5) + H7Si3(31) ⇔ H11Si5(60) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -54.84
S298 (cal/mol*K) = -40.98
G298 (kcal/mol) = -42.63
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H11Si5(60); H7Si3(31), H11Si5(60); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 2 SiH3SiH(5)+H7Si3(31)=H11Si5(60) 1.200e+10 0.000 -9.100
144. SiH3SiH(5) + H7Si3(31) ⇔ H11Si5(85) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -56.05
S298 (cal/mol*K) = -40.00
G298 (kcal/mol) = -44.13
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H11Si5(85); H7Si3(31), H11Si5(85); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 2 SiH3SiH(5)+H7Si3(31)=H11Si5(85) 1.200e+10 0.000 -9.100
145. H4Si2(7) + H7Si3(31) ⇔ Si3H8(6) + H3Si2(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(18); H7Si3(31), Si3H8(6); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H7Si3(31)=Si3H8(6)+H3Si2(18) 1.558e+03 3.620 -0.129
146. H2Si2(19) + H7Si3(31) ⇔ Si3H8(6) + HSi2(22) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(19), HSi2(22); H7Si3(31), Si3H8(6); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H2Si2(19)+H7Si3(31)=Si3H8(6)+HSi2(22) 7.792e+02 3.620 -0.129
147. H2Si2(19) + H7Si3(31) ⇔ H9Si5(86) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -50.68
G298 (kcal/mol) = -19.89
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H9Si5(86); H7Si3(31), H9Si5(86); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H2Si2(19)+H7Si3(31)=H9Si5(86) 5.580e+14 0.000 -0.454
148. H2Si2(19) + H7Si3(31) ⇔ H9Si5(87) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -35.55
S298 (cal/mol*K) = -53.09
G298 (kcal/mol) = -19.73
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H9Si5(87); H7Si3(31), H9Si5(87); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H2Si2(19)+H7Si3(31)=H9Si5(87) 3.720e+14 0.000 -0.454
149. H2Si2(19) + H7Si3(31) ⇔ H9Si5(88) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -37.69
S298 (cal/mol*K) = -50.76
G298 (kcal/mol) = -22.56
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H9Si5(88); H7Si3(31), H9Si5(88); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H2Si2(19)+H7Si3(31)=H9Si5(88) 3.720e+14 0.000 -0.454
153. Si3H8(6) + H2Si(52) ⇔ H3Si(8) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.3+6.2+7.0+7.4
Arrhenius(A=(669.706,'m^3/(mol*s)'), n=1.61699, Ea=(27.5016,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -1.65
S298 (cal/mol*K) = 3.41
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H2Si(52), H3Si(8); Si3H8(6), H7Si3(31); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 18 Si3H8(6)+H2Si(52)=H3Si(8)+H7Si3(31) 6.697e+08 1.617 6.573
154. H3Si(8) + H7Si3(31) ⇔ SiH4(1) + H6Si3(64) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+9.0+9.4
Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = -2.72
G298 (kcal/mol) = -2.17
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H7Si3(31), H6Si3(64); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 9 H3Si(8)+H7Si3(31)=SiH4(1)+H6Si3(64) 2.700e+03 3.580 -1.503
156. H3Si(8) + H7Si3(31) ⇔ SiH4(1) + H6Si3(92) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -6.33
S298 (cal/mol*K) = -1.99
G298 (kcal/mol) = -5.74
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H7Si3(31), H6Si3(92); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 2 H3Si(8)+H7Si3(31)=SiH4(1)+H6Si3(92) 6.305e+09 1.172 4.009
158. H5Si2(11) + H7Si3(31) ⇔ H4Si2(62) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), H4Si2(62); H7Si3(31), Si3H8(6); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H5Si2(11)+H7Si3(31)=H4Si2(62)+Si3H8(6) 6.305e+09 1.172 4.009
159. Si2H6(4) + H6Si3(64) ⇔ H5Si2(11) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.7+8.7+9.4+9.8
Arrhenius(A=(0.00701307,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 2.75
G298 (kcal/mol) = -0.82
! Template reaction: H_Abstraction ! Flux pairs: Si2H6(4), H5Si2(11); H6Si3(64), H7Si3(31); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 36 Si2H6(4)+H6Si3(64)=H5Si2(11)+H7Si3(31) 7.013e+03 3.620 -0.129
161. H5Si2(11) + H7Si3(31) ⇔ Si2H6(4) + H6Si3(92) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), Si2H6(4); H7Si3(31), H6Si3(92); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H5Si2(11)+H7Si3(31)=Si2H6(4)+H6Si3(92) 6.305e+09 1.172 4.009
162. H5Si2(11) + H7Si3(31) ⇔ H12Si5(35) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -71.58
S298 (cal/mol*K) = -39.94
G298 (kcal/mol) = -59.68
! Template reaction: R_Recombination ! Flux pairs: H5Si2(11), H12Si5(35); H7Si3(31), H12Si5(35); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H5Si2(11)+H7Si3(31)=H12Si5(35) 7.206e+12 0.101 -0.195
163. SiH2(2) + H6Si3(64) ⇔ HSi(10) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -10.19
S298 (cal/mol*K) = -2.46
G298 (kcal/mol) = -9.46
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H6Si3(64), H7Si3(31); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 SiH2(2)+H6Si3(64)=HSi(10)+H7Si3(31) 1.558e+03 3.620 -0.129
165. SiH2(2) + H6Si3(92) ⇔ HSi(10) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.3658,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.84
S298 (cal/mol*K) = -3.19
G298 (kcal/mol) = -5.89
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H6Si3(92), H7Si3(31); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H6Si3(92)=HSi(10)+H7Si3(31) 1.488e+08 1.617 6.541
166. HSi(10) + H7Si3(31) ⇔ H8Si4(77) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -43.14
S298 (cal/mol*K) = -31.35
G298 (kcal/mol) = -33.80
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H8Si4(77); H7Si3(31), H8Si4(77); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 HSi(10)+H7Si3(31)=H8Si4(77) 5.580e+14 0.000 -0.454
167. HSi(10) + H7Si3(31) ⇔ H8Si4(93) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -44.63
S298 (cal/mol*K) = -32.42
G298 (kcal/mol) = -34.97
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H8Si4(93); H7Si3(31), H8Si4(93); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 HSi(10)+H7Si3(31)=H8Si4(93) 3.720e+14 0.000 -0.454
169. SiH3SiH(5) + H6Si3(64) ⇔ H3Si2(12) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = 0.46
G298 (kcal/mol) = -14.49
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H6Si3(64), H7Si3(31); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 SiH3SiH(5)+H6Si3(64)=H3Si2(12)+H7Si3(31) 3.507e+03 3.620 -0.129
171. SiH3SiH(5) + H6Si3(92) ⇔ H3Si2(12) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+6.0+6.7+7.2
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.257,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -11.00
S298 (cal/mol*K) = -0.27
G298 (kcal/mol) = -10.92
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H6Si3(92), H7Si3(31); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H6Si3(92)=H3Si2(12)+H7Si3(31) 3.349e+08 1.617 6.515
172. H3Si2(12) + H7Si3(31) ⇔ H10Si5(96) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -39.00
S298 (cal/mol*K) = -39.00
G298 (kcal/mol) = -27.37
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), H10Si5(96); H7Si3(31), H10Si5(96); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H3Si2(12)+H7Si3(31)=H10Si5(96) 1.800e+10 0.000 -9.100
173. H3Si2(12) + H7Si3(31) ⇔ H10Si5(97) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -40.49
S298 (cal/mol*K) = -40.06
G298 (kcal/mol) = -28.55
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), H10Si5(97); H7Si3(31), H10Si5(97); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H3Si2(12)+H7Si3(31)=H10Si5(97) 1.200e+10 0.000 -9.100
174. H3Si2(12) + H7Si3(31) ⇔ H10Si5(98) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -41.69
S298 (cal/mol*K) = -37.70
G298 (kcal/mol) = -30.46
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), H10Si5(98); H7Si3(31), H10Si5(98); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 2 H3Si2(12)+H7Si3(31)=H10Si5(98) 1.200e+10 0.000 -9.100
175. H6Si3(64) + Si3H8(6) ⇔ H7Si3(31) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.7+8.7+9.4+9.8
Arrhenius(A=(0.00701307,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 2.75
G298 (kcal/mol) = -0.82
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(64), H7Si3(31); Si3H8(6), H7Si3(31); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 36 H6Si3(64)+Si3H8(6)=H7Si3(31)+H7Si3(31) 7.013e+03 3.620 -0.129
177. H7Si3(31) + H7Si3(31) ⇔ Si3H8(6) + H6Si3(92) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), H6Si3(92); H7Si3(31), Si3H8(6); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H7Si3(31)+H7Si3(31)=Si3H8(6)+H6Si3(92) 6.305e+09 1.172 4.009
178. H7Si3(31) + H7Si3(31) ⇔ H14Si6(45) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -75.88
S298 (cal/mol*K) = -36.07
G298 (kcal/mol) = -65.14
! Template reaction: R_Recombination ! Flux pairs: H7Si3(31), H14Si6(45); H7Si3(31), H14Si6(45); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H7Si3(31)+H7Si3(31)=H14Si6(45) 7.206e+12 0.101 -0.195
180. H6Si3(64) + H3Si(8) ⇔ H9Si4(42) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -73.70
S298 (cal/mol*K) = -36.32
G298 (kcal/mol) = -62.87
! Template reaction: R_Recombination ! Flux pairs: H6Si3(64), H9Si4(42); H3Si(8), H9Si4(42); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) ! Multiplied by reaction path degeneracy 2 H6Si3(64)+H3Si(8)=H9Si4(42) 1.441e+13 0.101 -0.195
181. H(9) + H8Si4(78) ⇔ H9Si4(42) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -86.75
S298 (cal/mol*K) = -28.96
G298 (kcal/mol) = -78.12
! Template reaction: R_Recombination ! Flux pairs: H8Si4(78), H9Si4(42); H(9), H9Si4(42); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(9)+H8Si4(78)=H9Si4(42) 7.206e+12 0.101 -0.195
183. H(9) + H8Si4(77) ⇔ H9Si4(42) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -89.44
S298 (cal/mol*K) = -27.66
G298 (kcal/mol) = -81.20
! Template reaction: R_Recombination ! Flux pairs: H8Si4(77), H9Si4(42); H(9), H9Si4(42); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) ! Multiplied by reaction path degeneracy 2 H(9)+H8Si4(77)=H9Si4(42) 1.441e+13 0.101 -0.195
184. H2(3) + H7Si4(99) ⇔ H9Si4(42) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -57.04
S298 (cal/mol*K) = -30.22
G298 (kcal/mol) = -48.03
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H9Si4(42); H7Si4(99), H9Si4(42); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(3)+H7Si4(99)=H9Si4(42) 2.400e+13 0.000 -0.500
185. SiH4(1) + H5Si3(54) ⇔ H9Si4(42) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.4+6.4+5.7+5.4
Arrhenius(A=(2.4e+10,'cm^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;SiH4) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -52.52
S298 (cal/mol*K) = -33.71
G298 (kcal/mol) = -42.48
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(1), H9Si4(42); H5Si3(54), H9Si4(42); ! Exact match found for rate rule (Si-Si-H;SiH4) ! Multiplied by reaction path degeneracy 4 SiH4(1)+H5Si3(54)=H9Si4(42) 2.400e+10 0.000 -9.100
186. H3Si(8) + H6Si3(15) ⇔ H9Si4(42) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -55.50
S298 (cal/mol*K) = -35.05
G298 (kcal/mol) = -45.06
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si(8), H9Si4(42); H6Si3(15), H9Si4(42); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 3 H3Si(8)+H6Si3(15)=H9Si4(42) 1.800e+10 0.000 -9.100
188. SiH2(2) + H9Si4(42) ⇔ H11Si5(73) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.3+7.8+7.0+6.5
Arrhenius(A=(1.9e+11,'cm^3/(mol*s)'), n=0, Ea=(-48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiH2;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -54.82
S298 (cal/mol*K) = -36.26
G298 (kcal/mol) = -44.02
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H11Si5(73); H9Si4(42), H11Si5(73); ! Exact match found for rate rule (SiH2;SiH2_R2) ! Multiplied by reaction path degeneracy 2 SiH2(2)+H9Si4(42)=H11Si5(73) 1.900e+11 0.000 -11.600
189. SiH2(2) + H9Si4(42) ⇔ H11Si5(60) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.3+7.8+7.0+6.5
Arrhenius(A=(1.9e+11,'cm^3/(mol*s)'), n=0, Ea=(-48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiH2;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -54.82
S298 (cal/mol*K) = -36.26
G298 (kcal/mol) = -44.02
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H11Si5(60); H9Si4(42), H11Si5(60); ! Exact match found for rate rule (SiH2;SiH2_R2) ! Multiplied by reaction path degeneracy 2 SiH2(2)+H9Si4(42)=H11Si5(60) 1.900e+11 0.000 -11.600
190. SiH2(2) + H9Si4(42) ⇔ H11Si5(61) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+8.1+8.0+8.0
Arrhenius(A=(9.3e+13,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -53.33
S298 (cal/mol*K) = -33.81
G298 (kcal/mol) = -43.26
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H11Si5(61); H9Si4(42), H11Si5(61); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH2(2)+H9Si4(42)=H11Si5(61) 9.300e+13 0.000 -0.454
191. SiH2(2) + H9Si4(42) ⇔ S(102) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.8+7.7+7.0+6.7
Arrhenius(A=(462582,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -56.03
S298 (cal/mol*K) = -33.89
G298 (kcal/mol) = -45.93
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), S(102); H9Si4(42), S(102); ! Estimated using an average for rate rule (SiH2;Si_H) ! Multiplied by reaction path degeneracy 2 SiH2(2)+H9Si4(42)=S(102) 4.626e+11 0.000 -9.392
195. SiH3SiH(5) + H9Si4(42) ⇔ H13Si6(74) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -54.84
S298 (cal/mol*K) = -40.98
G298 (kcal/mol) = -42.63
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H13Si6(74); H9Si4(42), H13Si6(74); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 2 SiH3SiH(5)+H9Si4(42)=H13Si6(74) 1.200e+10 0.000 -9.100
196. SiH3SiH(5) + H9Si4(42) ⇔ S(103) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -54.84
S298 (cal/mol*K) = -40.98
G298 (kcal/mol) = -42.63
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(103); H9Si4(42), S(103); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 2 SiH3SiH(5)+H9Si4(42)=S(103) 1.200e+10 0.000 -9.100
197. SiH3SiH(5) + H9Si4(42) ⇔ H13Si6(75) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -53.35
S298 (cal/mol*K) = -38.54
G298 (kcal/mol) = -41.86
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H13Si6(75); H9Si4(42), H13Si6(75); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH3SiH(5)+H9Si4(42)=H13Si6(75) 1.800e+10 0.000 -9.100
198. SiH3SiH(5) + H9Si4(42) ⇔ S(104) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -56.05
S298 (cal/mol*K) = -38.62
G298 (kcal/mol) = -44.54
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(104); H9Si4(42), S(104); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 2 SiH3SiH(5)+H9Si4(42)=S(104) 1.200e+10 0.000 -9.100
200. H4Si2(7) + H9Si4(42) ⇔ H10Si4(16) + H3Si2(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(18); H9Si4(42), H10Si4(16); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H9Si4(42)=H10Si4(16)+H3Si2(18) 1.558e+03 3.620 -0.129
201. H4Si2(53) + H4Si2(7) ⇔ H5Si2(11) + H3Si2(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00311692,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 16""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 5.41
G298 (kcal/mol) = -8.27
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(18); H4Si2(53), H5Si2(11); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 16 H4Si2(53)+H4Si2(7)=H5Si2(11)+H3Si2(18) 3.117e+03 3.620 -0.129
202. H2Si2(19) + H9Si4(42) ⇔ H10Si4(16) + HSi2(22) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(19), HSi2(22); H9Si4(42), H10Si4(16); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H2Si2(19)+H9Si4(42)=H10Si4(16)+HSi2(22) 7.792e+02 3.620 -0.129
203. H2Si2(19) + H9Si4(42) ⇔ S(105) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -35.55
S298 (cal/mol*K) = -53.09
G298 (kcal/mol) = -19.73
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), S(105); H9Si4(42), S(105); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H2Si2(19)+H9Si4(42)=S(105) 3.720e+14 0.000 -0.454
204. H2Si2(19) + H9Si4(42) ⇔ S(106) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -35.55
S298 (cal/mol*K) = -53.09
G298 (kcal/mol) = -19.73
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), S(106); H9Si4(42), S(106); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H2Si2(19)+H9Si4(42)=S(106) 3.720e+14 0.000 -0.454
205. H2Si2(19) + H9Si4(42) ⇔ S(107) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -50.68
G298 (kcal/mol) = -19.89
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), S(107); H9Si4(42), S(107); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H2Si2(19)+H9Si4(42)=S(107) 5.580e+14 0.000 -0.454
206. H2Si2(19) + H9Si4(42) ⇔ S(108) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -37.69
S298 (cal/mol*K) = -50.76
G298 (kcal/mol) = -22.56
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), S(108); H9Si4(42), S(108); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H2Si2(19)+H9Si4(42)=S(108) 3.720e+14 0.000 -0.454
207. H4Si2(53) + H2Si2(19) ⇔ H5Si2(11) + HSi2(22) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 5.41
G298 (kcal/mol) = -8.27
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(19), HSi2(22); H4Si2(53), H5Si2(11); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si2(53)+H2Si2(19)=H5Si2(11)+HSi2(22) 1.558e+03 3.620 -0.129
208. H4Si2(53) + H2Si2(19) ⇔ H6Si4(109) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -33.38
S298 (cal/mol*K) = -53.25
G298 (kcal/mol) = -17.51
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H6Si4(109); H4Si2(53), H6Si4(109); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H2Si2(19)=H6Si4(109) 7.440e+14 0.000 -0.454
214. H10Si4(16) + H2Si(52) ⇔ H3Si(8) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.3+6.2+7.0+7.4
Arrhenius(A=(669.706,'m^3/(mol*s)'), n=1.61699, Ea=(27.5016,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -1.65
S298 (cal/mol*K) = 3.41
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H2Si(52), H3Si(8); H10Si4(16), H9Si4(42); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 18 H10Si4(16)+H2Si(52)=H3Si(8)+H9Si4(42) 6.697e+08 1.617 6.573
215. H3Si(8) + H9Si4(42) ⇔ SiH4(1) + H8Si4(78) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.68
S298 (cal/mol*K) = -1.42
G298 (kcal/mol) = -5.26
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H9Si4(42), H8Si4(78); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 H3Si(8)+H9Si4(42)=SiH4(1)+H8Si4(78) 7.792e+02 3.620 -0.129
217. H3Si(8) + H9Si4(42) ⇔ SiH4(1) + H8Si4(77) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+9.0+9.4
Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = -2.72
G298 (kcal/mol) = -2.17
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H9Si4(42), H8Si4(77); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 9 H3Si(8)+H9Si4(42)=SiH4(1)+H8Si4(77) 2.700e+03 3.580 -1.503
218. H3Si(8) + H9Si4(42) ⇔ SiH4(1) + H8Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -6.33
S298 (cal/mol*K) = -1.99
G298 (kcal/mol) = -5.74
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H9Si4(42), H8Si4(115); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 2 H3Si(8)+H9Si4(42)=SiH4(1)+H8Si4(115) 6.305e+09 1.172 4.009
219. H3Si(8) + H9Si4(42) ⇔ H12Si5(35) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad)""")
H298 (kcal/mol) = -73.70
S298 (cal/mol*K) = -39.08
G298 (kcal/mol) = -62.05
! Template reaction: R_Recombination ! Flux pairs: H3Si(8), H12Si5(35); H9Si4(42), H12Si5(35); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad) H3Si(8)+H9Si4(42)=H12Si5(35) 7.206e+12 0.101 -0.195
220. H5Si2(11) + H2Si(52) ⇔ H4Si2(53) + H3Si(8) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+5.9+6.7+7.1
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.5016,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -1.65
S298 (cal/mol*K) = 0.66
G298 (kcal/mol) = -1.84
! Template reaction: H_Abstraction ! Flux pairs: H2Si(52), H3Si(8); H5Si2(11), H4Si2(53); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 9 H5Si2(11)+H2Si(52)=H4Si2(53)+H3Si(8) 3.349e+08 1.617 6.573
221. H4Si2(53) + H3Si(8) ⇔ SiH4(1) + H3Si2(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.5+6.7+7.2+7.5
Arrhenius(A=(12610.8,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.33
S298 (cal/mol*K) = -0.61
G298 (kcal/mol) = -6.15
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H4Si2(53), H3Si2(116); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H3Si(8)=SiH4(1)+H3Si2(116) 1.261e+10 1.172 4.009
222. H5Si2(11) + H9Si4(42) ⇔ H4Si2(62) + H10Si4(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), H4Si2(62); H9Si4(42), H10Si4(16); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H5Si2(11)+H9Si4(42)=H4Si2(62)+H10Si4(16) 6.305e+09 1.172 4.009
223. H5Si2(11) + H9Si4(42) ⇔ Si2H6(4) + H8Si4(78) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), Si2H6(4); H9Si4(42), H8Si4(78); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H5Si2(11)+H9Si4(42)=Si2H6(4)+H8Si4(78) 7.792e+02 3.620 -0.129
225. Si2H6(4) + H8Si4(77) ⇔ H5Si2(11) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.7+8.7+9.4+9.8
Arrhenius(A=(0.00701307,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 2.75
G298 (kcal/mol) = -0.82
! Template reaction: H_Abstraction ! Flux pairs: Si2H6(4), H5Si2(11); H8Si4(77), H9Si4(42); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 36 Si2H6(4)+H8Si4(77)=H5Si2(11)+H9Si4(42) 7.013e+03 3.620 -0.129
226. H5Si2(11) + H9Si4(42) ⇔ Si2H6(4) + H8Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), Si2H6(4); H9Si4(42), H8Si4(115); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H5Si2(11)+H9Si4(42)=Si2H6(4)+H8Si4(115) 6.305e+09 1.172 4.009
227. H5Si2(11) + H9Si4(42) ⇔ H14Si6(45) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -71.58
S298 (cal/mol*K) = -39.94
G298 (kcal/mol) = -59.68
! Template reaction: R_Recombination ! Flux pairs: H5Si2(11), H14Si6(45); H9Si4(42), H14Si6(45); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H5Si2(11)+H9Si4(42)=H14Si6(45) 7.206e+12 0.101 -0.195
228. H4Si2(53) + H5Si2(11) ⇔ H4Si2(62) + H5Si2(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.5+6.7+7.2+7.5
Arrhenius(A=(12610.8,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = 0.73
G298 (kcal/mol) = -3.57
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), H4Si2(62); H4Si2(53), H5Si2(11); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H5Si2(11)=H4Si2(62)+H5Si2(11) 1.261e+10 1.172 4.009
229. H4Si2(53) + H5Si2(11) ⇔ Si2H6(4) + H3Si2(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.5+6.7+7.2+7.5
Arrhenius(A=(12610.8,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -3.16
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), Si2H6(4); H4Si2(53), H3Si2(116); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H5Si2(11)=Si2H6(4)+H3Si2(116) 1.261e+10 1.172 4.009
230. SiH2(2) + H8Si4(78) ⇔ HSi(10) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.50
S298 (cal/mol*K) = -3.76
G298 (kcal/mol) = -6.37
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H8Si4(78), H9Si4(42); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H8Si4(78)=HSi(10)+H9Si4(42) 7.792e+02 3.620 -0.129
232. SiH2(2) + H8Si4(77) ⇔ HSi(10) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -10.19
S298 (cal/mol*K) = -2.46
G298 (kcal/mol) = -9.46
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H8Si4(77), H9Si4(42); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 SiH2(2)+H8Si4(77)=HSi(10)+H9Si4(42) 1.558e+03 3.620 -0.129
233. SiH2(2) + H8Si4(115) ⇔ HSi(10) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.3658,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.84
S298 (cal/mol*K) = -3.19
G298 (kcal/mol) = -5.89
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H8Si4(115), H9Si4(42); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H8Si4(115)=HSi(10)+H9Si4(42) 1.488e+08 1.617 6.541
234. HSi(10) + H9Si4(42) ⇔ H10Si5(97) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -44.63
S298 (cal/mol*K) = -32.42
G298 (kcal/mol) = -34.97
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H10Si5(97); H9Si4(42), H10Si5(97); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 HSi(10)+H9Si4(42)=H10Si5(97) 3.720e+14 0.000 -0.454
235. HSi(10) + H9Si4(42) ⇔ S(117) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -44.63
S298 (cal/mol*K) = -32.42
G298 (kcal/mol) = -34.97
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), S(117); H9Si4(42), S(117); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 HSi(10)+H9Si4(42)=S(117) 3.720e+14 0.000 -0.454
236. HSi(10) + H9Si4(42) ⇔ H10Si5(96) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -43.14
S298 (cal/mol*K) = -31.35
G298 (kcal/mol) = -33.80
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H10Si5(96); H9Si4(42), H10Si5(96); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 HSi(10)+H9Si4(42)=H10Si5(96) 5.580e+14 0.000 -0.454
237. HSi(10) + H9Si4(42) ⇔ S(118) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -45.84
S298 (cal/mol*K) = -30.05
G298 (kcal/mol) = -36.88
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), S(118); H9Si4(42), S(118); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 HSi(10)+H9Si4(42)=S(118) 3.720e+14 0.000 -0.454
238. SiH2(2) + H3Si2(116) ⇔ H4Si2(53) + HSi(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.3658,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.84
S298 (cal/mol*K) = -4.57
G298 (kcal/mol) = -5.48
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H3Si2(116), H4Si2(53); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H3Si2(116)=H4Si2(53)+HSi(10) 1.488e+08 1.617 6.541
239. H4Si2(53) + HSi(10) ⇔ H5Si3(119) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -41.53
S298 (cal/mol*K) = -33.92
G298 (kcal/mol) = -31.42
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H5Si3(119); H4Si2(53), H5Si3(119); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+HSi(10)=H5Si3(119) 7.440e+14 0.000 -0.454
240. SiH3SiH(5) + H8Si4(78) ⇔ H3Si2(12) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -11.65
S298 (cal/mol*K) = -0.84
G298 (kcal/mol) = -11.40
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H8Si4(78), H9Si4(42); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H8Si4(78)=H3Si2(12)+H9Si4(42) 1.753e+03 3.620 -0.129
242. SiH3SiH(5) + H8Si4(77) ⇔ H3Si2(12) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = 0.46
G298 (kcal/mol) = -14.49
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H8Si4(77), H9Si4(42); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 SiH3SiH(5)+H8Si4(77)=H3Si2(12)+H9Si4(42) 3.507e+03 3.620 -0.129
243. SiH3SiH(5) + H8Si4(115) ⇔ H3Si2(12) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+6.0+6.7+7.2
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.257,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -11.00
S298 (cal/mol*K) = -0.27
G298 (kcal/mol) = -10.92
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H8Si4(115), H9Si4(42); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H8Si4(115)=H3Si2(12)+H9Si4(42) 3.349e+08 1.617 6.515
244. H3Si2(12) + H9Si4(42) ⇔ S(121) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -40.49
S298 (cal/mol*K) = -40.06
G298 (kcal/mol) = -28.55
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(121); H9Si4(42), S(121); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H3Si2(12)+H9Si4(42)=S(121) 1.200e+10 0.000 -9.100
245. H3Si2(12) + H9Si4(42) ⇔ S(122) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -40.49
S298 (cal/mol*K) = -40.06
G298 (kcal/mol) = -28.55
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(122); H9Si4(42), S(122); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H3Si2(12)+H9Si4(42)=S(122) 1.200e+10 0.000 -9.100
246. H3Si2(12) + H9Si4(42) ⇔ S(123) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -39.00
S298 (cal/mol*K) = -39.00
G298 (kcal/mol) = -27.37
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(123); H9Si4(42), S(123); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H3Si2(12)+H9Si4(42)=S(123) 1.800e+10 0.000 -9.100
247. H3Si2(12) + H9Si4(42) ⇔ S(124) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -41.69
S298 (cal/mol*K) = -37.70
G298 (kcal/mol) = -30.46
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(124); H9Si4(42), S(124); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 2 H3Si2(12)+H9Si4(42)=S(124) 1.200e+10 0.000 -9.100
249. SiH3SiH(5) + H3Si2(116) ⇔ H4Si2(53) + H3Si2(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+6.0+6.7+7.2
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.257,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -11.00
S298 (cal/mol*K) = -1.65
G298 (kcal/mol) = -10.51
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H3Si2(116), H4Si2(53); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H3Si2(116)=H4Si2(53)+H3Si2(12) 3.349e+08 1.617 6.515
250. H4Si2(53) + H3Si2(12) ⇔ H7Si4(125) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.4+6.4+5.7+5.4
Arrhenius(A=(24000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -37.39
S298 (cal/mol*K) = -40.19
G298 (kcal/mol) = -25.41
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), H7Si4(125); H4Si2(53), H7Si4(125); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H3Si2(12)=H7Si4(125) 2.400e+10 0.000 -9.100
251. H6Si3(64) + H10Si4(16) ⇔ H7Si3(31) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.7+8.7+9.4+9.8
Arrhenius(A=(0.00701307,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 2.75
G298 (kcal/mol) = -0.82
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(64), H7Si3(31); H10Si4(16), H9Si4(42); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 36 H6Si3(64)+H10Si4(16)=H7Si3(31)+H9Si4(42) 7.013e+03 3.620 -0.129
253. H7Si3(31) + H9Si4(42) ⇔ H10Si4(16) + H6Si3(92) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), H6Si3(92); H9Si4(42), H10Si4(16); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H7Si3(31)+H9Si4(42)=H10Si4(16)+H6Si3(92) 6.305e+09 1.172 4.009
254. H7Si3(31) + H9Si4(42) ⇔ Si3H8(6) + H8Si4(78) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), Si3H8(6); H9Si4(42), H8Si4(78); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si3(31)+H9Si4(42)=Si3H8(6)+H8Si4(78) 7.792e+02 3.620 -0.129
256. Si3H8(6) + H8Si4(77) ⇔ H7Si3(31) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+8.7+9.3+9.8
Arrhenius(A=(0.00701307,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 36 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 2.75
G298 (kcal/mol) = -0.82
! Template reaction: H_Abstraction ! Flux pairs: Si3H8(6), H7Si3(31); H8Si4(77), H9Si4(42); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 36 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. Si3H8(6)+H8Si4(77)=H7Si3(31)+H9Si4(42) 7.013e+03 3.620 0.000
257. H7Si3(31) + H9Si4(42) ⇔ Si3H8(6) + H8Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), Si3H8(6); H9Si4(42), H8Si4(115); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H7Si3(31)+H9Si4(42)=Si3H8(6)+H8Si4(115) 6.305e+09 1.172 4.009
258. H4Si2(53) + H7Si3(31) ⇔ H6Si3(64) + H5Si2(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), H6Si3(64); H4Si2(53), H5Si2(11); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si2(53)+H7Si3(31)=H6Si3(64)+H5Si2(11) 3.507e+03 3.620 0.001
260. H4Si2(53) + H7Si3(31) ⇔ H5Si2(11) + H6Si3(92) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.5+6.7+7.2+7.5
Arrhenius(A=(12610.8,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = 0.73
G298 (kcal/mol) = -3.57
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), H6Si3(92); H4Si2(53), H5Si2(11); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H7Si3(31)=H5Si2(11)+H6Si3(92) 1.261e+10 1.172 4.009
261. H4Si2(53) + H7Si3(31) ⇔ H3Si2(116) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.5+6.7+7.2+7.5
Arrhenius(A=(12610.8,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -3.16
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), Si3H8(6); H4Si2(53), H3Si2(116); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H7Si3(31)=H3Si2(116)+Si3H8(6) 1.261e+10 1.172 4.009
262. H4Si2(53) + H7Si3(31) ⇔ H11Si5(61) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -71.58
S298 (cal/mol*K) = -37.18
G298 (kcal/mol) = -60.50
! Template reaction: R_Recombination ! Flux pairs: H7Si3(31), H11Si5(61); H4Si2(53), H11Si5(61); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) ! Multiplied by reaction path degeneracy 2 H4Si2(53)+H7Si3(31)=H11Si5(61) 1.441e+13 0.101 -0.195
263. H9Si4(42) + H9Si4(42) ⇔ H10Si4(16) + H8Si4(78) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(78); H9Si4(42), H10Si4(16); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H9Si4(42)+H9Si4(42)=H10Si4(16)+H8Si4(78) 7.792e+02 3.620 -0.129
265. H10Si4(16) + H8Si4(77) ⇔ H9Si4(42) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+8.7+9.3+9.8
Arrhenius(A=(0.00701307,'m^3/(mol*s)'), n=3.62, Ea=(3.72529e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 36 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 2.75
G298 (kcal/mol) = -0.82
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(77), H9Si4(42); H10Si4(16), H9Si4(42); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 36 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H10Si4(16)+H8Si4(77)=H9Si4(42)+H9Si4(42) 7.013e+03 3.620 0.000
266. H9Si4(42) + H9Si4(42) ⇔ H10Si4(16) + H8Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(115); H9Si4(42), H10Si4(16); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H9Si4(42)+H9Si4(42)=H10Si4(16)+H8Si4(115) 6.305e+09 1.172 4.009
267. H4Si2(53) + H9Si4(42) ⇔ H5Si2(11) + H8Si4(78) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 1.30
G298 (kcal/mol) = -3.09
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(78); H4Si2(53), H5Si2(11); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si2(53)+H9Si4(42)=H5Si2(11)+H8Si4(78) 1.558e+03 3.620 -0.129
269. H4Si2(53) + H9Si4(42) ⇔ H5Si2(11) + H8Si4(77) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(77); H4Si2(53), H5Si2(11); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si2(53)+H9Si4(42)=H5Si2(11)+H8Si4(77) 3.507e+03 3.620 0.001
270. H4Si2(53) + H9Si4(42) ⇔ H5Si2(11) + H8Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.5+6.7+7.2+7.5
Arrhenius(A=(12610.8,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = 0.73
G298 (kcal/mol) = -3.57
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(115); H4Si2(53), H5Si2(11); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H9Si4(42)=H5Si2(11)+H8Si4(115) 1.261e+10 1.172 4.009
271. H4Si2(53) + H9Si4(42) ⇔ H3Si2(116) + H10Si4(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.5+6.7+7.2+7.5
Arrhenius(A=(12610.8,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -3.16
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H10Si4(16); H4Si2(53), H3Si2(116); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H9Si4(42)=H3Si2(116)+H10Si4(16) 1.261e+10 1.172 4.009
272. H4Si2(53) + H9Si4(42) ⇔ H13Si6(75) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -71.58
S298 (cal/mol*K) = -37.18
G298 (kcal/mol) = -60.50
! Template reaction: R_Recombination ! Flux pairs: H9Si4(42), H13Si6(75); H4Si2(53), H13Si6(75); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) ! Multiplied by reaction path degeneracy 2 H4Si2(53)+H9Si4(42)=H13Si6(75) 1.441e+13 0.101 -0.195
273. H4Si2(53) + H4Si2(53) ⇔ H3Si2(116) + H5Si2(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.8+7.0+7.5+7.8
Arrhenius(A=(25221.5,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = 2.10
G298 (kcal/mol) = -3.98
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H3Si2(116); H4Si2(53), H5Si2(11); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si2(53)+H4Si2(53)=H3Si2(116)+H5Si2(11) 2.522e+10 1.172 4.009
274. H4Si2(53) + H4Si2(53) ⇔ H8Si4(77) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+7.8+7.8+7.8
Arrhenius(A=(2.88229e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -67.27
S298 (cal/mol*K) = -41.05
G298 (kcal/mol) = -55.04
! Template reaction: R_Recombination ! Flux pairs: H4Si2(53), H8Si4(77); H4Si2(53), H8Si4(77); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H4Si2(53)=H8Si4(77) 2.882e+13 0.101 -0.195
276. H9Si4(59) + H(9) ⇔ H10Si4(34) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -89.44
S298 (cal/mol*K) = -31.22
G298 (kcal/mol) = -80.14
! Template reaction: R_Recombination ! Flux pairs: H9Si4(59), H10Si4(34); H(9), H10Si4(34); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H9Si4(59)+H(9)=H10Si4(34) 7.206e+12 0.101 -0.195
277. H9Si4(126) + H(9) ⇔ H10Si4(34) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -92.42
S298 (cal/mol*K) = -26.24
G298 (kcal/mol) = -84.60
! Template reaction: R_Recombination ! Flux pairs: H9Si4(126), H10Si4(34); H(9), H10Si4(34); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H9Si4(126)+H(9)=H10Si4(34) 7.206e+12 0.101 -0.195
278. H2(3) + H8Si4(127) ⇔ H10Si4(34) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -53.76
S298 (cal/mol*K) = -33.66
G298 (kcal/mol) = -43.73
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H10Si4(34); H8Si4(127), H10Si4(34); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H2(3)+H8Si4(127)=H10Si4(34) 7.600e+12 0.000 0.800
279. SiH4(1) + H6Si3(33) ⇔ H10Si4(34) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+6.6+5.8+5.4
Arrhenius(A=(1.9e+10,'cm^3/(mol*s)'), n=0, Ea=(-10.4,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Matched reaction 7 H3SiSiSiH3 + SiH4 <=> iSi4H10 in Silylene_Insertion/training""")
H298 (kcal/mol) = -53.96
S298 (cal/mol*K) = -36.30
G298 (kcal/mol) = -43.14
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(1), H10Si4(34); H6Si3(33), H10Si4(34); ! Matched reaction 7 H3SiSiSiH3 + SiH4 <=> iSi4H10 in Silylene_Insertion/training SiH4(1)+H6Si3(33)=H10Si4(34) 1.900e+10 0.000 -10.400
280. H3Si(8) + H3Si2(18) ⇔ H6Si3(20) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl)""")
H298 (kcal/mol) = -66.54
S298 (cal/mol*K) = -44.18
G298 (kcal/mol) = -53.38
! Template reaction: R_Recombination ! Flux pairs: H3Si2(18), H6Si3(20); H3Si(8), H6Si3(20); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) H3Si(8)+H3Si2(18)=H6Si3(20) 7.206e+12 0.101 -0.195
281. H(9) + H5Si3(48) ⇔ H6Si3(20) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -89.44
S298 (cal/mol*K) = -29.04
G298 (kcal/mol) = -80.79
! Template reaction: R_Recombination ! Flux pairs: H5Si3(48), H6Si3(20); H(9), H6Si3(20); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(9)+H5Si3(48)=H6Si3(20) 7.206e+12 0.101 -0.195
282. H5Si3(129) + H(9) ⇔ H6Si3(20) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -82.78
S298 (cal/mol*K) = -31.69
G298 (kcal/mol) = -73.34
! Template reaction: R_Recombination ! Flux pairs: H5Si3(129), H6Si3(20); H(9), H6Si3(20); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H5Si3(129)+H(9)=H6Si3(20) 7.206e+12 0.101 -0.195
283. H5Si3(130) + H(9) ⇔ H6Si3(20) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -82.78
S298 (cal/mol*K) = -31.69
G298 (kcal/mol) = -73.34
! Template reaction: R_Recombination ! Flux pairs: H5Si3(130), H6Si3(20); H(9), H6Si3(20); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H5Si3(130)+H(9)=H6Si3(20) 7.206e+12 0.101 -0.195
284. H6Si3(33) ⇔ H6Si3(20) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.6+11.7+12.0+12.2
Arrhenius(A=(5.01e+12,'1/s'), n=0, Ea=(4.7,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Matched reaction 4 H3SiSiSiH3 <=> SiH3Si2H4 in Silylene_to_Silene/training""")
H298 (kcal/mol) = -11.67
S298 (cal/mol*K) = 0.33
G298 (kcal/mol) = -11.77
! Template reaction: Silylene_to_Silene ! Flux pairs: H6Si3(33), H6Si3(20); ! Matched reaction 4 H3SiSiSiH3 <=> SiH3Si2H4 in Silylene_to_Silene/training H6Si3(33)=H6Si3(20) 5.010e+12 0.000 4.700
285. H2(3) + H4Si3(131) ⇔ H6Si3(20) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -29.37
S298 (cal/mol*K) = -13.39
G298 (kcal/mol) = -25.38
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H6Si3(20); H4Si3(131), H6Si3(20); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H2(3)+H4Si3(131)=H6Si3(20) 7.600e+12 0.000 0.800
287. SiH2(2) + H10Si4(34) ⇔ H12Si5(36) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.6+8.5+8.5+8.5
Arrhenius(A=(2.79e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -53.33
S298 (cal/mol*K) = -31.63
G298 (kcal/mol) = -43.91
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H12Si5(36); H10Si4(34), H12Si5(36); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 9 SiH2(2)+H10Si4(34)=H12Si5(36) 2.790e+14 0.000 -0.454
288. SiH2(2) + H10Si4(34) ⇔ S(132) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.8+8.1+7.2+6.7
Arrhenius(A=(2.4e+11,'cm^3/(mol*s)'), n=0, Ea=(-12.4,'kcal/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Matched reaction 8 SiH2 + iSi4H10 <=> tSi5H12 in Silylene_Insertion/training""")
H298 (kcal/mol) = -55.78
S298 (cal/mol*K) = -40.88
G298 (kcal/mol) = -43.60
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), S(132); H10Si4(34), S(132); ! Matched reaction 8 SiH2 + iSi4H10 <=> tSi5H12 in Silylene_Insertion/training SiH2(2)+H10Si4(34)=S(132) 2.400e+11 0.000 -12.400
290. SiH2(2) + H6Si3(20) ⇔ H8Si4(134) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+7.4+6.7+6.4
Arrhenius(A=(231291,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H)""")
H298 (kcal/mol) = -57.16
S298 (cal/mol*K) = -36.49
G298 (kcal/mol) = -46.28
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H8Si4(134); H6Si3(20), H8Si4(134); ! Estimated using an average for rate rule (SiH2;Si_H) SiH2(2)+H6Si3(20)=H8Si4(134) 2.313e+11 0.000 -9.392
291. SiH2(2) + H6Si3(20) ⇔ H8Si4(135) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.8+7.7+7.0+6.7
Arrhenius(A=(462582,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -55.25
S298 (cal/mol*K) = -37.11
G298 (kcal/mol) = -44.18
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H8Si4(135); H6Si3(20), H8Si4(135); ! Estimated using an average for rate rule (SiH2;Si_H) ! Multiplied by reaction path degeneracy 2 SiH2(2)+H6Si3(20)=H8Si4(135) 4.626e+11 0.000 -9.392
293. SiH3SiH(5) + H10Si4(34) ⇔ S(136) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.7+6.7+6.1+5.7
Arrhenius(A=(54000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -53.35
S298 (cal/mol*K) = -36.36
G298 (kcal/mol) = -42.51
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(136); H10Si4(34), S(136); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H10Si4(34)=S(136) 5.400e+10 0.000 -9.100
294. SiH3SiH(5) + H10Si4(34) ⇔ S(137) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+5.8+5.1+4.8
Arrhenius(A=(6000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH_R3)""")
H298 (kcal/mol) = -55.80
S298 (cal/mol*K) = -42.85
G298 (kcal/mol) = -43.03
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(137); H10Si4(34), S(137); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH_R3) SiH3SiH(5)+H10Si4(34)=S(137) 6.000e+09 0.000 -9.100
295. SiH3SiH(5) + H6Si3(20) ⇔ H10Si5(37) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -52.63
S298 (cal/mol*K) = -38.78
G298 (kcal/mol) = -41.07
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H10Si5(37); H6Si3(20), H10Si5(37); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH3SiH(5)+H6Si3(20)=H10Si5(37) 1.800e+10 0.000 -9.100
296. SiH3SiH(5) + H6Si3(20) ⇔ S(140) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+5.8+5.1+4.8
Arrhenius(A=(6000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H)""")
H298 (kcal/mol) = -56.45
S298 (cal/mol*K) = -40.08
G298 (kcal/mol) = -44.50
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(140); H6Si3(20), S(140); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) SiH3SiH(5)+H6Si3(20)=S(140) 6.000e+09 0.000 -9.100
297. SiH3SiH(5) + H6Si3(20) ⇔ S(141) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -54.54
S298 (cal/mol*K) = -40.70
G298 (kcal/mol) = -42.41
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(141); H6Si3(20), S(141); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 2 SiH3SiH(5)+H6Si3(20)=S(141) 1.200e+10 0.000 -9.100
298. H4Si2(7) + H2Si2(66) ⇔ H6Si4(109) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -26.56
S298 (cal/mol*K) = -32.93
G298 (kcal/mol) = -16.74
! Template reaction: Silylene_Insertion ! Flux pairs: H4Si2(7), H6Si4(109); H2Si2(66), H6Si4(109); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 4 H4Si2(7)+H2Si2(66)=H6Si4(109) 7.440e+14 0.000 -0.454
299. H2Si2(19) + H10Si4(34) ⇔ S(142) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.4+9.3+9.3+9.3
Arrhenius(A=(1.674e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -48.50
G298 (kcal/mol) = -20.54
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), S(142); H10Si4(34), S(142); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 9 H2Si2(19)+H10Si4(34)=S(142) 1.674e+15 0.000 -0.454
300. H2Si2(19) + H10Si4(34) ⇔ S(143) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH_R3)""")
H298 (kcal/mol) = -34.55
S298 (cal/mol*K) = -54.27
G298 (kcal/mol) = -18.38
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), S(143); H10Si4(34), S(143); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH_R3) H2Si2(19)+H10Si4(34)=S(143) 1.860e+14 0.000 -0.454
301. H2Si2(19) + H6Si3(20) ⇔ H8Si5(144) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -40.63
S298 (cal/mol*K) = -90.85
G298 (kcal/mol) = -13.56
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H8Si5(144); H6Si3(20), H8Si5(144); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H2Si2(19)+H6Si3(20)=H8Si5(144) 5.580e+14 0.000 -0.454
302. H2Si2(19) + H6Si3(20) ⇔ H8Si5(145) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -88.36
S298 (cal/mol*K) = -107.68
G298 (kcal/mol) = -56.27
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H8Si5(145); H6Si3(20), H8Si5(145); ! Exact match found for rate rule (Si2S;Si_H) H2Si2(19)+H6Si3(20)=H8Si5(145) 1.860e+14 0.000 -0.454
303. H2Si2(19) + H6Si3(20) ⇔ H8Si5(146) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -90.76
S298 (cal/mol*K) = -125.74
G298 (kcal/mol) = -53.29
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H8Si5(146); H6Si3(20), H8Si5(146); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H2Si2(19)+H6Si3(20)=H8Si5(146) 3.720e+14 0.000 -0.454
304. Si3H8(6) + H2Si2(66) ⇔ S(118) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.1+9.1+9.1
Arrhenius(A=(1.116e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -27.77
S298 (cal/mol*K) = -28.87
G298 (kcal/mol) = -19.17
! Template reaction: Silylene_Insertion ! Flux pairs: Si3H8(6), S(118); H2Si2(66), S(118); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 6 Si3H8(6)+H2Si2(66)=S(118) 1.116e+15 0.000 -0.454
305. Si3H8(6) + H2Si2(66) ⇔ S(153) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -29.26
S298 (cal/mol*K) = -31.31
G298 (kcal/mol) = -19.93
! Template reaction: Silylene_Insertion ! Flux pairs: Si3H8(6), S(153); H2Si2(66), S(153); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 Si3H8(6)+H2Si2(66)=S(153) 3.720e+14 0.000 -0.454
306. H10Si4(16) + H2Si2(66) ⇔ S(154) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -29.26
S298 (cal/mol*K) = -31.31
G298 (kcal/mol) = -19.93
! Template reaction: Silylene_Insertion ! Flux pairs: H10Si4(16), S(154); H2Si2(66), S(154); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 4 H10Si4(16)+H2Si2(66)=S(154) 7.440e+14 0.000 -0.454
307. H10Si4(16) + H2Si2(66) ⇔ S(155) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.1+9.1+9.1
Arrhenius(A=(1.116e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -27.77
S298 (cal/mol*K) = -28.87
G298 (kcal/mol) = -19.17
! Template reaction: Silylene_Insertion ! Flux pairs: H10Si4(16), S(155); H2Si2(66), S(155); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 6 H10Si4(16)+H2Si2(66)=S(155) 1.116e+15 0.000 -0.454
308. H3Si(8) + H10Si4(34) ⇔ SiH4(1) + H9Si4(59) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+9.0+9.5+9.9
Arrhenius(A=(8100,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 27""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = 0.84
G298 (kcal/mol) = -3.23
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H10Si4(34), H9Si4(59); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 27 H3Si(8)+H10Si4(34)=SiH4(1)+H9Si4(59) 8.100e+03 3.580 -1.503
309. SiH4(1) + H9Si4(126) ⇔ H3Si(8) + H10Si4(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00311692,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Si_silane;Sis_rad) Multiplied by reaction path degeneracy 16""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 4.13
G298 (kcal/mol) = -1.23
! Template reaction: H_Abstraction ! Flux pairs: SiH4(1), H3Si(8); H9Si4(126), H10Si4(34); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Si_silane;Sis_rad) ! Multiplied by reaction path degeneracy 16 SiH4(1)+H9Si4(126)=H3Si(8)+H10Si4(34) 3.117e+03 3.620 -0.129
310. H3Si(8) + H6Si3(20) ⇔ SiH4(1) + H5Si3(48) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+9.0+9.4
Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = -1.34
G298 (kcal/mol) = -2.58
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H6Si3(20), H5Si3(48); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 9 H3Si(8)+H6Si3(20)=SiH4(1)+H5Si3(48) 2.700e+03 3.580 -1.503
311. H3Si(8) + H6Si3(20) ⇔ SiH4(1) + H5Si3(129) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl)""")
H298 (kcal/mol) = -9.64
S298 (cal/mol*K) = 1.32
G298 (kcal/mol) = -10.03
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H6Si3(20), H5Si3(129); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) H3Si(8)+H6Si3(20)=SiH4(1)+H5Si3(129) 1.948e+02 3.620 -0.129
312. H3Si(8) + H6Si3(20) ⇔ SiH4(1) + H5Si3(130) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -9.64
S298 (cal/mol*K) = 1.32
G298 (kcal/mol) = -10.03
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H6Si3(20), H5Si3(130); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 4 H3Si(8)+H6Si3(20)=SiH4(1)+H5Si3(130) 7.792e+02 3.620 -0.129
313. H5Si2(11) + H10Si4(34) ⇔ Si2H6(4) + H9Si4(59) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+8.6+9.2+9.7
Arrhenius(A=(0.00525981,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 27 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), Si2H6(4); H10Si4(34), H9Si4(59); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 27 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H5Si2(11)+H10Si4(34)=Si2H6(4)+H9Si4(59) 5.260e+03 3.620 0.001
314. Si2H6(4) + H9Si4(126) ⇔ H5Si2(11) + H10Si4(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = 4.17
G298 (kcal/mol) = -4.22
! Template reaction: H_Abstraction ! Flux pairs: Si2H6(4), H5Si2(11); H9Si4(126), H10Si4(34); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 18 Si2H6(4)+H9Si4(126)=H5Si2(11)+H10Si4(34) 3.507e+03 3.620 -0.129
315. H5Si2(11) + H2Si2(66) ⇔ H7Si4(157) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -26.16
S298 (cal/mol*K) = -34.20
G298 (kcal/mol) = -15.97
! Template reaction: Silylene_Insertion ! Flux pairs: H5Si2(11), H7Si4(157); H2Si2(66), H7Si4(157); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H5Si2(11)+H2Si2(66)=H7Si4(157) 3.720e+14 0.000 -0.454
316. Si2H6(4) + H5Si3(48) ⇔ H5Si2(11) + H6Si3(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: Si2H6(4), H5Si2(11); H5Si3(48), H6Si3(20); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 Si2H6(4)+H5Si3(48)=H5Si2(11)+H6Si3(20) 3.507e+03 3.620 -0.129
317. H5Si2(11) + H6Si3(20) ⇔ Si2H6(4) + H5Si3(129) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), Si2H6(4); H6Si3(20), H5Si3(129); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H5Si2(11)+H6Si3(20)=Si2H6(4)+H5Si3(129) 1.948e+02 3.620 -0.129
318. H5Si2(11) + H6Si3(20) ⇔ Si2H6(4) + H5Si3(130) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), Si2H6(4); H6Si3(20), H5Si3(130); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H5Si2(11)+H6Si3(20)=Si2H6(4)+H5Si3(130) 7.792e+02 3.620 -0.129
319. SiH2(2) + H9Si4(59) ⇔ HSi(10) + H10Si4(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.19
S298 (cal/mol*K) = -6.02
G298 (kcal/mol) = -8.40
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H9Si4(59), H10Si4(34); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H9Si4(59)=HSi(10)+H10Si4(34) 7.792e+02 3.620 -0.129
320. SiH2(2) + H9Si4(126) ⇔ HSi(10) + H10Si4(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -13.17
S298 (cal/mol*K) = -1.04
G298 (kcal/mol) = -12.86
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H9Si4(126), H10Si4(34); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H9Si4(126)=HSi(10)+H10Si4(34) 7.792e+02 3.620 -0.129
321. HSi(10) + H10Si4(34) ⇔ H11Si5(73) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.4+9.3+9.3+9.3
Arrhenius(A=(1.674e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -43.14
S298 (cal/mol*K) = -27.79
G298 (kcal/mol) = -34.86
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H11Si5(73); H10Si4(34), H11Si5(73); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 9 HSi(10)+H10Si4(34)=H11Si5(73) 1.674e+15 0.000 -0.454
322. HSi(10) + H10Si4(34) ⇔ S(158) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH_R3)""")
H298 (kcal/mol) = -45.59
S298 (cal/mol*K) = -34.29
G298 (kcal/mol) = -35.37
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), S(158); H10Si4(34), S(158); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH_R3) HSi(10)+H10Si4(34)=S(158) 1.860e+14 0.000 -0.454
323. SiH2(2) + H5Si3(48) ⇔ HSi(10) + H6Si3(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.19
S298 (cal/mol*K) = -3.84
G298 (kcal/mol) = -9.05
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H5Si3(48), H6Si3(20); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H5Si3(48)=HSi(10)+H6Si3(20) 7.792e+02 3.620 -0.129
324. SiH2(2) + H5Si3(129) ⇔ HSi(10) + H6Si3(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.53
S298 (cal/mol*K) = -6.49
G298 (kcal/mol) = -1.60
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H5Si3(129), H6Si3(20); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H5Si3(129)=HSi(10)+H6Si3(20) 7.792e+02 3.620 -0.129
325. SiH2(2) + H5Si3(130) ⇔ HSi(10) + H6Si3(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.53
S298 (cal/mol*K) = -6.49
G298 (kcal/mol) = -1.60
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H5Si3(130), H6Si3(20); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H5Si3(130)=HSi(10)+H6Si3(20) 7.792e+02 3.620 -0.129
326. HSi(10) + H6Si3(20) ⇔ H7Si4(55) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -42.42
S298 (cal/mol*K) = -30.21
G298 (kcal/mol) = -33.42
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H7Si4(55); H6Si3(20), H7Si4(55); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 HSi(10)+H6Si3(20)=H7Si4(55) 5.580e+14 0.000 -0.454
327. HSi(10) + H6Si3(20) ⇔ H7Si4(162) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -46.96
S298 (cal/mol*K) = -31.28
G298 (kcal/mol) = -37.64
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H7Si4(162); H6Si3(20), H7Si4(162); ! Exact match found for rate rule (Si2S;Si_H) HSi(10)+H6Si3(20)=H7Si4(162) 1.860e+14 0.000 -0.454
328. HSi(10) + H6Si3(20) ⇔ H7Si4(56) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -45.12
S298 (cal/mol*K) = -30.29
G298 (kcal/mol) = -36.09
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H7Si4(56); H6Si3(20), H7Si4(56); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 HSi(10)+H6Si3(20)=H7Si4(56) 3.720e+14 0.000 -0.454
329. SiH3SiH(5) + H9Si4(59) ⇔ H3Si2(12) + H10Si4(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -3.10
G298 (kcal/mol) = -13.43
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H9Si4(59), H10Si4(34); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H9Si4(59)=H3Si2(12)+H10Si4(34) 1.753e+03 3.620 -0.129
330. SiH3SiH(5) + H9Si4(126) ⇔ H3Si2(12) + H10Si4(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -17.33
S298 (cal/mol*K) = 1.87
G298 (kcal/mol) = -17.89
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H9Si4(126), H10Si4(34); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H9Si4(126)=H3Si2(12)+H10Si4(34) 1.753e+03 3.620 -0.129
331. H3Si2(12) + H10Si4(34) ⇔ S(163) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.7+6.7+6.1+5.7
Arrhenius(A=(54000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -39.00
S298 (cal/mol*K) = -35.44
G298 (kcal/mol) = -28.44
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(163); H10Si4(34), S(163); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 9 H3Si2(12)+H10Si4(34)=S(163) 5.400e+10 0.000 -9.100
332. H3Si2(12) + H10Si4(34) ⇔ S(164) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+5.8+5.1+4.8
Arrhenius(A=(6000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH_R3)""")
H298 (kcal/mol) = -41.45
S298 (cal/mol*K) = -41.93
G298 (kcal/mol) = -28.95
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(164); H10Si4(34), S(164); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH_R3) H3Si2(12)+H10Si4(34)=S(164) 6.000e+09 0.000 -9.100
333. SiH3SiH(5) + H5Si3(48) ⇔ H3Si2(12) + H6Si3(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -0.92
G298 (kcal/mol) = -14.08
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H5Si3(48), H6Si3(20); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H5Si3(48)=H3Si2(12)+H6Si3(20) 1.753e+03 3.620 -0.129
334. SiH3SiH(5) + H5Si3(129) ⇔ H3Si2(12) + H6Si3(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -6.63
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H5Si3(129), H6Si3(20); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H5Si3(129)=H3Si2(12)+H6Si3(20) 1.753e+03 3.620 -0.129
335. SiH3SiH(5) + H5Si3(130) ⇔ H3Si2(12) + H6Si3(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -6.63
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H5Si3(130), H6Si3(20); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H5Si3(130)=H3Si2(12)+H6Si3(20) 1.753e+03 3.620 -0.129
336. H3Si2(12) + H6Si3(20) ⇔ H9Si5(86) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -38.28
S298 (cal/mol*K) = -37.86
G298 (kcal/mol) = -26.99
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), H9Si5(86); H6Si3(20), H9Si5(86); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H3Si2(12)+H6Si3(20)=H9Si5(86) 1.800e+10 0.000 -9.100
337. H3Si2(12) + H6Si3(20) ⇔ H9Si5(169) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+5.8+5.1+4.8
Arrhenius(A=(6000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H)""")
H298 (kcal/mol) = -42.10
S298 (cal/mol*K) = -39.16
G298 (kcal/mol) = -30.43
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), H9Si5(169); H6Si3(20), H9Si5(169); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) H3Si2(12)+H6Si3(20)=H9Si5(169) 6.000e+09 0.000 -9.100
338. H3Si2(12) + H6Si3(20) ⇔ H9Si5(170) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -40.19
S298 (cal/mol*K) = -39.78
G298 (kcal/mol) = -28.33
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), H9Si5(170); H6Si3(20), H9Si5(170); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 2 H3Si2(12)+H6Si3(20)=H9Si5(170) 1.200e+10 0.000 -9.100
339. H7Si3(31) + H10Si4(34) ⇔ H9Si4(59) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+8.6+9.2+9.7
Arrhenius(A=(0.00525981,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 27 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), Si3H8(6); H10Si4(34), H9Si4(59); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 27 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H7Si3(31)+H10Si4(34)=H9Si4(59)+Si3H8(6) 5.260e+03 3.620 0.000
340. H9Si4(126) + Si3H8(6) ⇔ H7Si3(31) + H10Si4(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = 4.17
G298 (kcal/mol) = -4.22
! Template reaction: H_Abstraction ! Flux pairs: Si3H8(6), H7Si3(31); H9Si4(126), H10Si4(34); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 18 H9Si4(126)+Si3H8(6)=H7Si3(31)+H10Si4(34) 3.507e+03 3.620 -0.129
341. H7Si3(31) + H2Si2(66) ⇔ H9Si5(173) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -27.77
S298 (cal/mol*K) = -30.25
G298 (kcal/mol) = -18.76
! Template reaction: Silylene_Insertion ! Flux pairs: H7Si3(31), H9Si5(173); H2Si2(66), H9Si5(173); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H7Si3(31)+H2Si2(66)=H9Si5(173) 5.580e+14 0.000 -0.454
342. H7Si3(31) + H2Si2(66) ⇔ H9Si5(174) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -29.26
S298 (cal/mol*K) = -32.69
G298 (kcal/mol) = -19.52
! Template reaction: Silylene_Insertion ! Flux pairs: H7Si3(31), H9Si5(174); H2Si2(66), H9Si5(174); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H7Si3(31)+H2Si2(66)=H9Si5(174) 3.720e+14 0.000 -0.454
343. H7Si3(31) + H2Si2(66) ⇔ H9Si5(175) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -30.47
S298 (cal/mol*K) = -30.33
G298 (kcal/mol) = -21.43
! Template reaction: Silylene_Insertion ! Flux pairs: H7Si3(31), H9Si5(175); H2Si2(66), H9Si5(175); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H7Si3(31)+H2Si2(66)=H9Si5(175) 3.720e+14 0.000 -0.454
344. Si3H8(6) + H5Si3(48) ⇔ H6Si3(20) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: Si3H8(6), H7Si3(31); H5Si3(48), H6Si3(20); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 Si3H8(6)+H5Si3(48)=H6Si3(20)+H7Si3(31) 3.507e+03 3.620 -0.129
345. H6Si3(20) + H7Si3(31) ⇔ H5Si3(129) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), Si3H8(6); H6Si3(20), H5Si3(129); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si3(20)+H7Si3(31)=H5Si3(129)+Si3H8(6) 1.948e+02 3.620 -0.129
346. H6Si3(20) + H7Si3(31) ⇔ H5Si3(130) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), Si3H8(6); H6Si3(20), H5Si3(130); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(20)+H7Si3(31)=H5Si3(130)+Si3H8(6) 7.792e+02 3.620 -0.129
347. H10Si4(34) + H9Si4(42) ⇔ H9Si4(59) + H10Si4(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+8.6+9.2+9.7
Arrhenius(A=(0.00525981,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 27""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H10Si4(16); H10Si4(34), H9Si4(59); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 27 H10Si4(34)+H9Si4(42)=H9Si4(59)+H10Si4(16) 5.260e+03 3.620 -0.129
348. H9Si4(126) + H10Si4(16) ⇔ H10Si4(34) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = 4.17
G298 (kcal/mol) = -4.22
! Template reaction: H_Abstraction ! Flux pairs: H10Si4(16), H9Si4(42); H9Si4(126), H10Si4(34); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 18 H9Si4(126)+H10Si4(16)=H10Si4(34)+H9Si4(42) 3.507e+03 3.620 -0.129
349. H9Si4(42) + H2Si2(66) ⇔ S(178) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -29.26
S298 (cal/mol*K) = -32.69
G298 (kcal/mol) = -19.52
! Template reaction: Silylene_Insertion ! Flux pairs: H9Si4(42), S(178); H2Si2(66), S(178); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H9Si4(42)+H2Si2(66)=S(178) 3.720e+14 0.000 -0.454
350. H9Si4(42) + H2Si2(66) ⇔ S(179) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -29.26
S298 (cal/mol*K) = -32.69
G298 (kcal/mol) = -19.52
! Template reaction: Silylene_Insertion ! Flux pairs: H9Si4(42), S(179); H2Si2(66), S(179); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H9Si4(42)+H2Si2(66)=S(179) 3.720e+14 0.000 -0.454
351. H9Si4(42) + H2Si2(66) ⇔ S(180) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -27.77
S298 (cal/mol*K) = -30.25
G298 (kcal/mol) = -18.76
! Template reaction: Silylene_Insertion ! Flux pairs: H9Si4(42), S(180); H2Si2(66), S(180); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H9Si4(42)+H2Si2(66)=S(180) 5.580e+14 0.000 -0.454
352. H9Si4(42) + H2Si2(66) ⇔ S(181) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -30.47
S298 (cal/mol*K) = -30.33
G298 (kcal/mol) = -21.43
! Template reaction: Silylene_Insertion ! Flux pairs: H9Si4(42), S(181); H2Si2(66), S(181); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H9Si4(42)+H2Si2(66)=S(181) 3.720e+14 0.000 -0.454
353. H10Si4(16) + H5Si3(48) ⇔ H6Si3(20) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H10Si4(16), H9Si4(42); H5Si3(48), H6Si3(20); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H10Si4(16)+H5Si3(48)=H6Si3(20)+H9Si4(42) 3.507e+03 3.620 -0.129
354. H6Si3(20) + H9Si4(42) ⇔ H5Si3(129) + H10Si4(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H10Si4(16); H6Si3(20), H5Si3(129); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si3(20)+H9Si4(42)=H5Si3(129)+H10Si4(16) 1.948e+02 3.620 -0.129
355. H6Si3(20) + H9Si4(42) ⇔ H5Si3(130) + H10Si4(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H10Si4(16); H6Si3(20), H5Si3(130); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(20)+H9Si4(42)=H5Si3(130)+H10Si4(16) 7.792e+02 3.620 -0.129
356. H4Si2(53) + H10Si4(34) ⇔ H9Si4(59) + H5Si2(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.9+9.5+10.0
Arrhenius(A=(0.0105196,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 54 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 3.56
G298 (kcal/mol) = -1.06
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H5Si2(11); H10Si4(34), H9Si4(59); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 54 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si2(53)+H10Si4(34)=H9Si4(59)+H5Si2(11) 1.052e+04 3.620 0.001
357. H9Si4(126) + H5Si2(11) ⇔ H4Si2(53) + H10Si4(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = 1.42
G298 (kcal/mol) = -3.40
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), H4Si2(53); H9Si4(126), H10Si4(34); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 H9Si4(126)+H5Si2(11)=H4Si2(53)+H10Si4(34) 1.753e+03 3.620 -0.129
358. H4Si2(53) + H2Si2(66) ⇔ H6Si4(184) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -26.17
S298 (cal/mol*K) = -34.20
G298 (kcal/mol) = -15.97
! Template reaction: Silylene_Insertion ! Flux pairs: H4Si2(53), H6Si4(184); H2Si2(66), H6Si4(184); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H2Si2(66)=H6Si4(184) 7.440e+14 0.000 -0.454
359. H4Si2(53) + H6Si3(20) ⇔ H5Si2(11) + H5Si3(48) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H5Si2(11); H6Si3(20), H5Si3(48); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si2(53)+H6Si3(20)=H5Si2(11)+H5Si3(48) 3.507e+03 3.620 0.001
360. H4Si2(53) + H6Si3(20) ⇔ H5Si3(129) + H5Si2(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H5Si2(11); H6Si3(20), H5Si3(129); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H4Si2(53)+H6Si3(20)=H5Si3(129)+H5Si2(11) 3.896e+02 3.620 -0.129
361. H4Si2(53) + H6Si3(20) ⇔ H5Si3(130) + H5Si2(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H5Si2(11); H6Si3(20), H5Si3(130); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si2(53)+H6Si3(20)=H5Si3(130)+H5Si2(11) 1.558e+03 3.620 -0.129
362. H10Si4(34) + H2Si2(66) ⇔ S(185) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.4+9.3+9.3+9.3
Arrhenius(A=(1.674e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -27.77
S298 (cal/mol*K) = -28.06
G298 (kcal/mol) = -19.41
! Template reaction: Silylene_Insertion ! Flux pairs: H10Si4(34), S(185); H2Si2(66), S(185); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 9 H10Si4(34)+H2Si2(66)=S(185) 1.674e+15 0.000 -0.454
363. H10Si4(34) + H2Si2(66) ⇔ S(186) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH_R3)""")
H298 (kcal/mol) = -30.22
S298 (cal/mol*K) = -34.56
G298 (kcal/mol) = -19.92
! Template reaction: Silylene_Insertion ! Flux pairs: H10Si4(34), S(186); H2Si2(66), S(186); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH_R3) H10Si4(34)+H2Si2(66)=S(186) 1.860e+14 0.000 -0.454
364. H6Si3(20) + H2Si2(66) ⇔ H8Si5(191) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -27.05
S298 (cal/mol*K) = -30.49
G298 (kcal/mol) = -17.97
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), H8Si5(191); H6Si3(20), H8Si5(191); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H6Si3(20)+H2Si2(66)=H8Si5(191) 5.580e+14 0.000 -0.454
365. H6Si3(20) + H2Si2(66) ⇔ H8Si5(192) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -30.87
S298 (cal/mol*K) = -31.79
G298 (kcal/mol) = -21.40
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), H8Si5(192); H6Si3(20), H8Si5(192); ! Exact match found for rate rule (Si2S;Si_H) H6Si3(20)+H2Si2(66)=H8Si5(192) 1.860e+14 0.000 -0.454
366. H6Si3(20) + H2Si2(66) ⇔ H8Si5(193) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -29.75
S298 (cal/mol*K) = -30.57
G298 (kcal/mol) = -20.64
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), H8Si5(193); H6Si3(20), H8Si5(193); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H6Si3(20)+H2Si2(66)=H8Si5(193) 3.720e+14 0.000 -0.454
367. H5Si3(119) + H(9) ⇔ H6Si3(65) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -89.45
S298 (cal/mol*K) = -27.66
G298 (kcal/mol) = -81.20
! Template reaction: R_Recombination ! Flux pairs: H5Si3(119), H6Si3(65); H(9), H6Si3(65); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) ! Multiplied by reaction path degeneracy 2 H5Si3(119)+H(9)=H6Si3(65) 1.441e+13 0.101 -0.195
368. H2(3) + H4Si3(80) ⇔ H6Si3(65) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -44.84
S298 (cal/mol*K) = -30.17
G298 (kcal/mol) = -35.84
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H6Si3(65); H4Si3(80), H6Si3(65); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H2(3)+H4Si3(80)=H6Si3(65) 7.600e+12 0.000 0.800
372. SiH2(2) + H6Si3(65) ⇔ H8Si4(194) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+7.4+6.7+6.4
Arrhenius(A=(231291,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H)""")
H298 (kcal/mol) = -49.15
S298 (cal/mol*K) = -38.97
G298 (kcal/mol) = -37.53
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H8Si4(194); H6Si3(65), H8Si4(194); ! Estimated using an average for rate rule (SiH2;Si_H) SiH2(2)+H6Si3(65)=H8Si4(194) 2.313e+11 0.000 -9.392
373. SiH2(2) + H6Si3(65) ⇔ H8Si4(195) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.8+7.7+7.0+6.7
Arrhenius(A=(462582,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -56.03
S298 (cal/mol*K) = -35.27
G298 (kcal/mol) = -45.52
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H8Si4(195); H6Si3(65), H8Si4(195); ! Estimated using an average for rate rule (SiH2;Si_H) ! Multiplied by reaction path degeneracy 2 SiH2(2)+H6Si3(65)=H8Si4(195) 4.626e+11 0.000 -9.392
378. SiH3SiH(5) + H6Si3(65) ⇔ S(118) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -53.35
S298 (cal/mol*K) = -38.54
G298 (kcal/mol) = -41.86
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(118); H6Si3(65), S(118); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH3SiH(5)+H6Si3(65)=S(118) 1.800e+10 0.000 -9.100
379. SiH3SiH(5) + H6Si3(65) ⇔ S(196) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+5.8+5.1+4.8
Arrhenius(A=(6000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H)""")
H298 (kcal/mol) = -49.16
S298 (cal/mol*K) = -42.32
G298 (kcal/mol) = -36.55
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(196); H6Si3(65), S(196); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) SiH3SiH(5)+H6Si3(65)=S(196) 6.000e+09 0.000 -9.100
380. SiH3SiH(5) + H6Si3(65) ⇔ S(197) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -56.05
S298 (cal/mol*K) = -38.62
G298 (kcal/mol) = -44.54
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(197); H6Si3(65), S(197); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 2 SiH3SiH(5)+H6Si3(65)=S(197) 1.200e+10 0.000 -9.100
381. H6Si3(65) + H4Si2(7) ⇔ H3Si2(18) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 4.11
G298 (kcal/mol) = -5.19
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(18); H6Si3(65), H7Si3(31); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 8 H6Si3(65)+H4Si2(7)=H3Si2(18)+H7Si3(31) 1.558e+03 3.620 -0.129
382. H6Si3(65) + H4Si2(7) ⇔ H3Si2(18) + H7Si3(32) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(18); H6Si3(65), H7Si3(32); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H6Si3(65)+H4Si2(7)=H3Si2(18)+H7Si3(32) 1.558e+03 3.620 -0.129
383. H6Si3(65) + H2Si2(19) ⇔ HSi2(22) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 4.11
G298 (kcal/mol) = -5.19
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(19), HSi2(22); H6Si3(65), H7Si3(31); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(65)+H2Si2(19)=HSi2(22)+H7Si3(31) 7.792e+02 3.620 -0.129
384. H6Si3(65) + H2Si2(19) ⇔ HSi2(22) + H7Si3(32) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(19), HSi2(22); H6Si3(65), H7Si3(32); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(65)+H2Si2(19)=HSi2(22)+H7Si3(32) 7.792e+02 3.620 -0.129
385. H6Si3(65) + H2Si2(19) ⇔ H8Si5(191) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -50.68
G298 (kcal/mol) = -19.89
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H8Si5(191); H6Si3(65), H8Si5(191); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H6Si3(65)+H2Si2(19)=H8Si5(191) 5.580e+14 0.000 -0.454
386. H6Si3(65) + H2Si2(19) ⇔ H8Si5(192) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -38.81
S298 (cal/mol*K) = -51.98
G298 (kcal/mol) = -23.32
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H8Si5(192); H6Si3(65), H8Si5(192); ! Exact match found for rate rule (Si2S;Si_H) H6Si3(65)+H2Si2(19)=H8Si5(192) 1.860e+14 0.000 -0.454
387. H6Si3(65) + H2Si2(19) ⇔ H8Si5(193) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -37.69
S298 (cal/mol*K) = -50.76
G298 (kcal/mol) = -22.56
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H8Si5(193); H6Si3(65), H8Si5(193); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H2Si2(19)=H8Si5(193) 3.720e+14 0.000 -0.454
388. H6Si3(65) + Si2(23) ⇔ H6Si5(199) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -55.89
S298 (cal/mol*K) = -97.33
G298 (kcal/mol) = -26.89
! Template reaction: Silylene_Insertion ! Flux pairs: Si2(23), H6Si5(199); H6Si3(65), H6Si5(199); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+Si2(23)=H6Si5(199) 3.720e+14 0.000 -0.454
389. H6Si3(65) + Si2(23) ⇔ H6Si5(200) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -54.05
S298 (cal/mol*K) = -96.34
G298 (kcal/mol) = -25.34
! Template reaction: Silylene_Insertion ! Flux pairs: Si2(23), H6Si5(200); H6Si3(65), H6Si5(200); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 4 H6Si3(65)+Si2(23)=H6Si5(200) 7.440e+14 0.000 -0.454
395. H7Si3(31) + H2Si(52) ⇔ H6Si3(65) + H3Si(8) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4311,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -4.35
S298 (cal/mol*K) = 1.96
G298 (kcal/mol) = -4.93
! Template reaction: H_Abstraction ! Flux pairs: H2Si(52), H3Si(8); H7Si3(31), H6Si3(65); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) ! Multiplied by reaction path degeneracy 4 H7Si3(31)+H2Si(52)=H6Si3(65)+H3Si(8) 1.488e+08 1.617 6.556
396. H7Si3(32) + H2Si(52) ⇔ H6Si3(65) + H3Si(8) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.3+6.2+7.0+7.4
Arrhenius(A=(669.706,'m^3/(mol*s)'), n=1.61699, Ea=(27.5016,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -1.65
S298 (cal/mol*K) = 3.41
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H2Si(52), H3Si(8); H7Si3(32), H6Si3(65); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 18 H7Si3(32)+H2Si(52)=H6Si3(65)+H3Si(8) 6.697e+08 1.617 6.573
397. H6Si3(65) + H3Si(8) ⇔ SiH4(1) + H5Si3(119) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+9.0+9.4
Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = -2.72
G298 (kcal/mol) = -2.17
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H6Si3(65), H5Si3(119); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 9 H6Si3(65)+H3Si(8)=SiH4(1)+H5Si3(119) 2.700e+03 3.580 -1.503
398. H6Si3(65) + H3Si(8) ⇔ SiH4(1) + H5Si3(201) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Si_silyl)""")
H298 (kcal/mol) = -9.71
S298 (cal/mol*K) = -1.99
G298 (kcal/mol) = -9.12
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H6Si3(65), H5Si3(201); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Si_silyl) H6Si3(65)+H3Si(8)=SiH4(1)+H5Si3(201) 3.153e+09 1.172 4.009
399. H6Si3(65) + H3Si(8) ⇔ SiH4(1) + H5Si3(202) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -6.33
S298 (cal/mol*K) = -1.99
G298 (kcal/mol) = -5.74
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H6Si3(65), H5Si3(202); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H3Si(8)=SiH4(1)+H5Si3(202) 6.305e+09 1.172 4.009
400. H6Si3(65) + H3Si(8) ⇔ H9Si4(59) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad)""")
H298 (kcal/mol) = -72.49
S298 (cal/mol*K) = -40.06
G298 (kcal/mol) = -60.55
! Template reaction: R_Recombination ! Flux pairs: H3Si(8), H9Si4(59); H6Si3(65), H9Si4(59); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad) H6Si3(65)+H3Si(8)=H9Si4(59) 7.206e+12 0.101 -0.195
403. H6Si3(65) + H5Si2(11) ⇔ H4Si2(62) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -0.48
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), H4Si2(62); H6Si3(65), H7Si3(31); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H5Si2(11)=H4Si2(62)+H7Si3(31) 6.305e+09 1.172 4.009
404. H6Si3(65) + H5Si2(11) ⇔ H4Si2(62) + H7Si3(32) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), H4Si2(62); H6Si3(65), H7Si3(32); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H5Si2(11)=H4Si2(62)+H7Si3(32) 6.305e+09 1.172 4.009
405. Si2H6(4) + H5Si3(119) ⇔ H6Si3(65) + H5Si2(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.7+8.7+9.4+9.8
Arrhenius(A=(0.00701307,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 2.75
G298 (kcal/mol) = -0.82
! Template reaction: H_Abstraction ! Flux pairs: Si2H6(4), H5Si2(11); H5Si3(119), H6Si3(65); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 36 Si2H6(4)+H5Si3(119)=H6Si3(65)+H5Si2(11) 7.013e+03 3.620 -0.129
406. H6Si3(65) + H5Si2(11) ⇔ Si2H6(4) + H5Si3(201) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -6.12
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), Si2H6(4); H6Si3(65), H5Si3(201); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H6Si3(65)+H5Si2(11)=Si2H6(4)+H5Si3(201) 3.153e+09 1.172 4.009
407. H6Si3(65) + H5Si2(11) ⇔ Si2H6(4) + H5Si3(202) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), Si2H6(4); H6Si3(65), H5Si3(202); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H5Si2(11)=Si2H6(4)+H5Si3(202) 6.305e+09 1.172 4.009
408. H6Si3(65) + H5Si2(11) ⇔ H11Si5(60) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -70.37
S298 (cal/mol*K) = -40.92
G298 (kcal/mol) = -58.17
! Template reaction: R_Recombination ! Flux pairs: H5Si2(11), H11Si5(60); H6Si3(65), H11Si5(60); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H6Si3(65)+H5Si2(11)=H11Si5(60) 7.206e+12 0.101 -0.195
409. H6Si3(65) + H5Si2(11) ⇔ S(102) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -71.58
S298 (cal/mol*K) = -38.56
G298 (kcal/mol) = -60.09
! Template reaction: R_Recombination ! Flux pairs: H5Si2(11), S(102); H6Si3(65), S(102); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H6Si3(65)+H5Si2(11)=S(102) 7.206e+12 0.101 -0.195
410. SiH2(2) + H5Si3(119) ⇔ H6Si3(65) + HSi(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -10.19
S298 (cal/mol*K) = -2.46
G298 (kcal/mol) = -9.46
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H5Si3(119), H6Si3(65); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 SiH2(2)+H5Si3(119)=H6Si3(65)+HSi(10) 1.558e+03 3.620 -0.129
411. SiH2(2) + H5Si3(201) ⇔ H6Si3(65) + HSi(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4541,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.47
S298 (cal/mol*K) = -3.19
G298 (kcal/mol) = -2.51
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H5Si3(201), H6Si3(65); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H5Si3(201)=H6Si3(65)+HSi(10) 1.488e+08 1.617 6.562
412. SiH2(2) + H5Si3(202) ⇔ H6Si3(65) + HSi(10) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.3658,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.84
S298 (cal/mol*K) = -3.19
G298 (kcal/mol) = -5.89
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H5Si3(202), H6Si3(65); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H5Si3(202)=H6Si3(65)+HSi(10) 1.488e+08 1.617 6.541
413. H6Si3(65) + HSi(10) ⇔ H7Si4(125) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -43.14
S298 (cal/mol*K) = -29.97
G298 (kcal/mol) = -34.21
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H7Si4(125); H6Si3(65), H7Si4(125); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H6Si3(65)+HSi(10)=H7Si4(125) 5.580e+14 0.000 -0.454
414. H6Si3(65) + HSi(10) ⇔ H7Si4(205) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -38.95
S298 (cal/mol*K) = -35.13
G298 (kcal/mol) = -28.48
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H7Si4(205); H6Si3(65), H7Si4(205); ! Exact match found for rate rule (Si2S;Si_H) H6Si3(65)+HSi(10)=H7Si4(205) 1.860e+14 0.000 -0.454
415. H6Si3(65) + HSi(10) ⇔ H7Si4(157) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -45.84
S298 (cal/mol*K) = -30.05
G298 (kcal/mol) = -36.88
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H7Si4(157); H6Si3(65), H7Si4(157); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+HSi(10)=H7Si4(157) 3.720e+14 0.000 -0.454
416. SiH3SiH(5) + H5Si3(119) ⇔ H6Si3(65) + H3Si2(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = 0.46
G298 (kcal/mol) = -14.49
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H5Si3(119), H6Si3(65); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 SiH3SiH(5)+H5Si3(119)=H6Si3(65)+H3Si2(12) 3.507e+03 3.620 -0.129
417. SiH3SiH(5) + H5Si3(201) ⇔ H6Si3(65) + H3Si2(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+5.9+6.7+7.1
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.3453,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.63
S298 (cal/mol*K) = -0.27
G298 (kcal/mol) = -7.54
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H5Si3(201), H6Si3(65); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H5Si3(201)=H6Si3(65)+H3Si2(12) 3.349e+08 1.617 6.536
418. SiH3SiH(5) + H5Si3(202) ⇔ H6Si3(65) + H3Si2(12) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+6.0+6.7+7.2
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.257,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -11.00
S298 (cal/mol*K) = -0.27
G298 (kcal/mol) = -10.92
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H5Si3(202), H6Si3(65); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H5Si3(202)=H6Si3(65)+H3Si2(12) 3.349e+08 1.617 6.515
419. H6Si3(65) + H3Si2(12) ⇔ H9Si5(173) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -39.00
S298 (cal/mol*K) = -37.62
G298 (kcal/mol) = -27.79
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), H9Si5(173); H6Si3(65), H9Si5(173); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H6Si3(65)+H3Si2(12)=H9Si5(173) 1.800e+10 0.000 -9.100
420. H6Si3(65) + H3Si2(12) ⇔ H9Si5(208) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+5.8+5.1+4.8
Arrhenius(A=(6000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H)""")
H298 (kcal/mol) = -34.81
S298 (cal/mol*K) = -41.40
G298 (kcal/mol) = -22.47
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), H9Si5(208); H6Si3(65), H9Si5(208); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) H6Si3(65)+H3Si2(12)=H9Si5(208) 6.000e+09 0.000 -9.100
421. H6Si3(65) + H3Si2(12) ⇔ H9Si5(209) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -41.69
S298 (cal/mol*K) = -37.70
G298 (kcal/mol) = -30.46
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), H9Si5(209); H6Si3(65), H9Si5(209); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H3Si2(12)=H9Si5(209) 1.200e+10 0.000 -9.100
422. H6Si3(64) + H7Si3(31) ⇔ H6Si3(65) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 1.30
G298 (kcal/mol) = -3.09
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(64), H7Si3(31); H7Si3(31), H6Si3(65); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H6Si3(64)+H7Si3(31)=H6Si3(65)+H7Si3(31) 1.558e+03 3.620 -0.129
423. H6Si3(64) + H7Si3(32) ⇔ H6Si3(65) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.7+8.7+9.4+9.8
Arrhenius(A=(0.00701307,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 2.75
G298 (kcal/mol) = -0.82
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(64), H7Si3(31); H7Si3(32), H6Si3(65); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 36 H6Si3(64)+H7Si3(32)=H6Si3(65)+H7Si3(31) 7.013e+03 3.620 -0.129
425. H6Si3(65) + H7Si3(31) ⇔ H7Si3(31) + H6Si3(92) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -0.48
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), H6Si3(92); H6Si3(65), H7Si3(31); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H7Si3(31)=H7Si3(31)+H6Si3(92) 6.305e+09 1.172 4.009
426. H6Si3(65) + H7Si3(31) ⇔ H7Si3(32) + H6Si3(92) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), H6Si3(92); H6Si3(65), H7Si3(32); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H7Si3(31)=H7Si3(32)+H6Si3(92) 6.305e+09 1.172 4.009
427. H5Si3(119) + Si3H8(6) ⇔ H6Si3(65) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.7+8.7+9.4+9.8
Arrhenius(A=(0.00701307,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 2.75
G298 (kcal/mol) = -0.82
! Template reaction: H_Abstraction ! Flux pairs: Si3H8(6), H7Si3(31); H5Si3(119), H6Si3(65); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 36 H5Si3(119)+Si3H8(6)=H6Si3(65)+H7Si3(31) 7.013e+03 3.620 -0.129
428. H6Si3(65) + H7Si3(31) ⇔ Si3H8(6) + H5Si3(201) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -6.12
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), Si3H8(6); H6Si3(65), H5Si3(201); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H6Si3(65)+H7Si3(31)=Si3H8(6)+H5Si3(201) 3.153e+09 1.172 4.009
429. H6Si3(65) + H7Si3(31) ⇔ Si3H8(6) + H5Si3(202) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), Si3H8(6); H6Si3(65), H5Si3(202); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H7Si3(31)=Si3H8(6)+H5Si3(202) 6.305e+09 1.172 4.009
430. H6Si3(65) + H7Si3(31) ⇔ S(210) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -74.68
S298 (cal/mol*K) = -37.05
G298 (kcal/mol) = -63.63
! Template reaction: R_Recombination ! Flux pairs: H7Si3(31), S(210); H6Si3(65), S(210); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H6Si3(65)+H7Si3(31)=S(210) 7.206e+12 0.101 -0.195
431. H6Si3(65) + H7Si3(31) ⇔ S(211) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -75.88
S298 (cal/mol*K) = -34.69
G298 (kcal/mol) = -65.55
! Template reaction: R_Recombination ! Flux pairs: H7Si3(31), S(211); H6Si3(65), S(211); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H6Si3(65)+H7Si3(31)=S(211) 7.206e+12 0.101 -0.195
432. H7Si3(31) + H8Si4(78) ⇔ H6Si3(65) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(3.72529e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(78), H9Si4(42); H7Si3(31), H6Si3(65); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H7Si3(31)+H8Si4(78)=H6Si3(65)+H9Si4(42) 7.792e+02 3.620 0.000
433. H6Si3(65) + H9Si4(42) ⇔ H7Si3(32) + H8Si4(78) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(78); H6Si3(65), H7Si3(32); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(65)+H9Si4(42)=H7Si3(32)+H8Si4(78) 7.792e+02 3.620 -0.129
436. H7Si3(31) + H8Si4(77) ⇔ H6Si3(65) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 1.30
G298 (kcal/mol) = -3.09
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(77), H9Si4(42); H7Si3(31), H6Si3(65); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H7Si3(31)+H8Si4(77)=H6Si3(65)+H9Si4(42) 1.558e+03 3.620 -0.129
437. H7Si3(32) + H8Si4(77) ⇔ H6Si3(65) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+8.7+9.3+9.8
Arrhenius(A=(0.00701307,'m^3/(mol*s)'), n=3.62, Ea=(3.72529e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 36 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 2.75
G298 (kcal/mol) = -0.82
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(77), H9Si4(42); H7Si3(32), H6Si3(65); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 36 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H7Si3(32)+H8Si4(77)=H6Si3(65)+H9Si4(42) 7.013e+03 3.620 0.000
438. H6Si3(65) + H9Si4(42) ⇔ H7Si3(31) + H8Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -0.48
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(115); H6Si3(65), H7Si3(31); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H9Si4(42)=H7Si3(31)+H8Si4(115) 6.305e+09 1.172 4.009
439. H6Si3(65) + H9Si4(42) ⇔ H7Si3(32) + H8Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(115); H6Si3(65), H7Si3(32); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H9Si4(42)=H7Si3(32)+H8Si4(115) 6.305e+09 1.172 4.009
440. H5Si3(119) + H10Si4(16) ⇔ H6Si3(65) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.7+8.7+9.4+9.8
Arrhenius(A=(0.00701307,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 2.75
G298 (kcal/mol) = -0.82
! Template reaction: H_Abstraction ! Flux pairs: H10Si4(16), H9Si4(42); H5Si3(119), H6Si3(65); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 36 H5Si3(119)+H10Si4(16)=H6Si3(65)+H9Si4(42) 7.013e+03 3.620 -0.129
441. H6Si3(65) + H9Si4(42) ⇔ H10Si4(16) + H5Si3(201) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -6.12
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H10Si4(16); H6Si3(65), H5Si3(201); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H6Si3(65)+H9Si4(42)=H10Si4(16)+H5Si3(201) 3.153e+09 1.172 4.009
442. H6Si3(65) + H9Si4(42) ⇔ H10Si4(16) + H5Si3(202) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H10Si4(16); H6Si3(65), H5Si3(202); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H9Si4(42)=H10Si4(16)+H5Si3(202) 6.305e+09 1.172 4.009
443. H4Si2(53) + H6Si3(65) ⇔ H3Si2(116) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.5+6.7+7.2+7.5
Arrhenius(A=(12610.8,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.89
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H3Si2(116); H6Si3(65), H7Si3(31); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H6Si3(65)=H3Si2(116)+H7Si3(31) 1.261e+10 1.172 4.009
444. H4Si2(53) + H6Si3(65) ⇔ H3Si2(116) + H7Si3(32) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.5+6.7+7.2+7.5
Arrhenius(A=(12610.8,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -3.16
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H3Si2(116); H6Si3(65), H7Si3(32); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H6Si3(65)=H3Si2(116)+H7Si3(32) 1.261e+10 1.172 4.009
445. H5Si3(119) + H5Si2(11) ⇔ H4Si2(53) + H6Si3(65) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), H4Si2(53); H5Si3(119), H6Si3(65); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H5Si3(119)+H5Si2(11)=H4Si2(53)+H6Si3(65) 3.507e+03 3.620 -0.129
446. H4Si2(53) + H6Si3(65) ⇔ H5Si2(11) + H5Si3(201) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = 0.73
G298 (kcal/mol) = -6.94
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H5Si2(11); H6Si3(65), H5Si3(201); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H4Si2(53)+H6Si3(65)=H5Si2(11)+H5Si3(201) 6.305e+09 1.172 4.009
447. H4Si2(53) + H6Si3(65) ⇔ H5Si2(11) + H5Si3(202) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.5+6.7+7.2+7.5
Arrhenius(A=(12610.8,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = 0.73
G298 (kcal/mol) = -3.57
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H5Si2(11); H6Si3(65), H5Si3(202); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H6Si3(65)=H5Si2(11)+H5Si3(202) 1.261e+10 1.172 4.009
448. H4Si2(53) + H6Si3(65) ⇔ H10Si5(97) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -70.37
S298 (cal/mol*K) = -39.55
G298 (kcal/mol) = -58.59
! Template reaction: R_Recombination ! Flux pairs: H4Si2(53), H10Si5(97); H6Si3(65), H10Si5(97); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) ! Multiplied by reaction path degeneracy 2 H4Si2(53)+H6Si3(65)=H10Si5(97) 1.441e+13 0.101 -0.195
449. H4Si2(53) + H6Si3(65) ⇔ S(212) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -71.58
S298 (cal/mol*K) = -37.18
G298 (kcal/mol) = -60.50
! Template reaction: R_Recombination ! Flux pairs: H4Si2(53), S(212); H6Si3(65), S(212); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) ! Multiplied by reaction path degeneracy 2 H4Si2(53)+H6Si3(65)=S(212) 1.441e+13 0.101 -0.195
450. H9Si4(59) + H7Si3(31) ⇔ H6Si3(65) + H10Si4(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -2.26
G298 (kcal/mol) = -2.02
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(59), H10Si4(34); H7Si3(31), H6Si3(65); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H9Si4(59)+H7Si3(31)=H6Si3(65)+H10Si4(34) 7.792e+02 3.620 -0.129
451. H6Si3(65) + H10Si4(34) ⇔ H9Si4(59) + H7Si3(32) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+8.6+9.2+9.7
Arrhenius(A=(0.00525981,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 27""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.24
! Template reaction: H_Abstraction ! Flux pairs: H10Si4(34), H9Si4(59); H6Si3(65), H7Si3(32); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 27 H6Si3(65)+H10Si4(34)=H9Si4(59)+H7Si3(32) 5.260e+03 3.620 -0.129
452. H9Si4(126) + H7Si3(31) ⇔ H6Si3(65) + H10Si4(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.68
S298 (cal/mol*K) = 2.72
G298 (kcal/mol) = -6.49
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(126), H10Si4(34); H7Si3(31), H6Si3(65); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H9Si4(126)+H7Si3(31)=H6Si3(65)+H10Si4(34) 7.792e+02 3.620 -0.129
453. H9Si4(126) + H7Si3(32) ⇔ H6Si3(65) + H10Si4(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = 4.17
G298 (kcal/mol) = -4.22
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(126), H10Si4(34); H7Si3(32), H6Si3(65); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 18 H9Si4(126)+H7Si3(32)=H6Si3(65)+H10Si4(34) 3.507e+03 3.620 -0.129
454. H6Si3(65) + H2Si2(66) ⇔ H8Si5(217) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -27.77
S298 (cal/mol*K) = -31.62
G298 (kcal/mol) = -18.35
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), H8Si5(217); H6Si3(65), H8Si5(217); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H6Si3(65)+H2Si2(66)=H8Si5(217) 5.580e+14 0.000 -0.454
455. H6Si3(65) + H2Si2(66) ⇔ H8Si5(218) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -23.59
S298 (cal/mol*K) = -34.03
G298 (kcal/mol) = -13.44
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), H8Si5(218); H6Si3(65), H8Si5(218); ! Exact match found for rate rule (Si2S;Si_H) H6Si3(65)+H2Si2(66)=H8Si5(218) 1.860e+14 0.000 -0.454
456. H6Si3(65) + H2Si2(66) ⇔ H8Si5(219) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -30.47
S298 (cal/mol*K) = -30.33
G298 (kcal/mol) = -21.43
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), H8Si5(219); H6Si3(65), H8Si5(219); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H2Si2(66)=H8Si5(219) 3.720e+14 0.000 -0.454
457. H7Si3(31) + H5Si3(48) ⇔ H6Si3(65) + H6Si3(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(48), H6Si3(20); H7Si3(31), H6Si3(65); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si3(31)+H5Si3(48)=H6Si3(65)+H6Si3(20) 7.792e+02 3.620 -0.129
458. H7Si3(32) + H5Si3(48) ⇔ H6Si3(65) + H6Si3(20) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(48), H6Si3(20); H7Si3(32), H6Si3(65); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H7Si3(32)+H5Si3(48)=H6Si3(65)+H6Si3(20) 3.507e+03 3.620 -0.129
459. H6Si3(65) + H6Si3(20) ⇔ H5Si3(129) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad)""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(20), H5Si3(129); H6Si3(65), H7Si3(31); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) H6Si3(65)+H6Si3(20)=H5Si3(129)+H7Si3(31) 1.948e+02 3.620 -0.129
460. H6Si3(65) + H6Si3(20) ⇔ H5Si3(129) + H7Si3(32) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(20), H5Si3(129); H6Si3(65), H7Si3(32); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si3(65)+H6Si3(20)=H5Si3(129)+H7Si3(32) 1.948e+02 3.620 -0.129
461. H6Si3(65) + H6Si3(20) ⇔ H5Si3(130) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(20), H5Si3(130); H6Si3(65), H7Si3(31); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(65)+H6Si3(20)=H5Si3(130)+H7Si3(31) 7.792e+02 3.620 -0.129
462. H6Si3(65) + H6Si3(20) ⇔ H5Si3(130) + H7Si3(32) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(20), H5Si3(130); H6Si3(65), H7Si3(32); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(65)+H6Si3(20)=H5Si3(130)+H7Si3(32) 7.792e+02 3.620 -0.129
463. H5Si3(119) + H7Si3(31) ⇔ H6Si3(65) + H6Si3(65) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 1.30
G298 (kcal/mol) = -3.09
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(119), H6Si3(65); H7Si3(31), H6Si3(65); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H5Si3(119)+H7Si3(31)=H6Si3(65)+H6Si3(65) 1.558e+03 3.620 -0.129
464. H5Si3(119) + H7Si3(32) ⇔ H6Si3(65) + H6Si3(65) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.7+8.7+9.4+9.8
Arrhenius(A=(0.00701307,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 36""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 2.75
G298 (kcal/mol) = -0.82
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(119), H6Si3(65); H7Si3(32), H6Si3(65); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 36 H5Si3(119)+H7Si3(32)=H6Si3(65)+H6Si3(65) 7.013e+03 3.620 -0.129
465. H6Si3(65) + H6Si3(65) ⇔ H7Si3(31) + H5Si3(201) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -4.03
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -3.86
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H5Si3(201); H6Si3(65), H7Si3(31); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H6Si3(65)+H6Si3(65)=H7Si3(31)+H5Si3(201) 3.153e+09 1.172 4.009
466. H6Si3(65) + H6Si3(65) ⇔ H7Si3(32) + H5Si3(201) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -6.12
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H5Si3(201); H6Si3(65), H7Si3(32); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H6Si3(65)+H6Si3(65)=H7Si3(32)+H5Si3(201) 3.153e+09 1.172 4.009
467. H6Si3(65) + H6Si3(65) ⇔ H7Si3(31) + H5Si3(202) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -0.48
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H5Si3(202); H6Si3(65), H7Si3(31); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H6Si3(65)=H7Si3(31)+H5Si3(202) 6.305e+09 1.172 4.009
468. H6Si3(65) + H6Si3(65) ⇔ H7Si3(32) + H5Si3(202) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H5Si3(202); H6Si3(65), H7Si3(32); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H6Si3(65)=H7Si3(32)+H5Si3(202) 6.305e+09 1.172 4.009
469. H6Si3(65) + H6Si3(65) ⇔ S(220) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -73.47
S298 (cal/mol*K) = -40.80
G298 (kcal/mol) = -61.31
! Template reaction: R_Recombination ! Flux pairs: H6Si3(65), S(220); H6Si3(65), S(220); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H6Si3(65)+H6Si3(65)=S(220) 7.206e+12 0.101 -0.195
470. H6Si3(65) + H6Si3(65) ⇔ S(221) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -74.68
S298 (cal/mol*K) = -37.05
G298 (kcal/mol) = -63.63
! Template reaction: R_Recombination ! Flux pairs: H6Si3(65), S(221); H6Si3(65), S(221); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H6Si3(65)=S(221) 1.441e+13 0.101 -0.195
471. H6Si3(65) + H6Si3(65) ⇔ S(222) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -75.88
S298 (cal/mol*K) = -36.07
G298 (kcal/mol) = -65.14
! Template reaction: R_Recombination ! Flux pairs: H6Si3(65), S(222); H6Si3(65), S(222); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H6Si3(65)+H6Si3(65)=S(222) 7.206e+12 0.101 -0.195
472. H5Si3(119) + H3Si(8) ⇔ H8Si4(94) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -73.70
S298 (cal/mol*K) = -36.32
G298 (kcal/mol) = -62.87
! Template reaction: R_Recombination ! Flux pairs: H5Si3(119), H8Si4(94); H3Si(8), H8Si4(94); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) ! Multiplied by reaction path degeneracy 2 H5Si3(119)+H3Si(8)=H8Si4(94) 1.441e+13 0.101 -0.195
473. H(9) + H7Si4(157) ⇔ H8Si4(94) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -86.75
S298 (cal/mol*K) = -28.96
G298 (kcal/mol) = -78.12
! Template reaction: R_Recombination ! Flux pairs: H7Si4(157), H8Si4(94); H(9), H8Si4(94); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(9)+H7Si4(157)=H8Si4(94) 7.206e+12 0.101 -0.195
474. H7Si4(125) + H(9) ⇔ H8Si4(94) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -89.45
S298 (cal/mol*K) = -29.04
G298 (kcal/mol) = -80.79
! Template reaction: R_Recombination ! Flux pairs: H7Si4(125), H8Si4(94); H(9), H8Si4(94); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H7Si4(125)+H(9)=H8Si4(94) 7.206e+12 0.101 -0.195
475. H2(3) + H6Si4(223) ⇔ H8Si4(94) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -45.39
S298 (cal/mol*K) = -28.58
G298 (kcal/mol) = -36.87
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H8Si4(94); H6Si4(223), H8Si4(94); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(3)+H6Si4(223)=H8Si4(94) 2.400e+13 0.000 -0.500
476. SiH4(1) + H4Si3(80) ⇔ H8Si4(94) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.4+6.4+5.7+5.4
Arrhenius(A=(2.4e+10,'cm^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;SiH4) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -40.87
S298 (cal/mol*K) = -32.06
G298 (kcal/mol) = -31.31
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(1), H8Si4(94); H4Si3(80), H8Si4(94); ! Exact match found for rate rule (Si-Si-H;SiH4) ! Multiplied by reaction path degeneracy 4 SiH4(1)+H4Si3(80)=H8Si4(94) 2.400e+10 0.000 -9.100
479. SiH2(2) + H8Si4(94) ⇔ S(153) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.3+7.8+7.0+6.5
Arrhenius(A=(1.9e+11,'cm^3/(mol*s)'), n=0, Ea=(-48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiH2;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -54.82
S298 (cal/mol*K) = -36.26
G298 (kcal/mol) = -44.02
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), S(153); H8Si4(94), S(153); ! Exact match found for rate rule (SiH2;SiH2_R2) ! Multiplied by reaction path degeneracy 2 SiH2(2)+H8Si4(94)=S(153) 1.900e+11 0.000 -11.600
480. SiH2(2) + H8Si4(94) ⇔ S(118) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+8.1+8.0+8.0
Arrhenius(A=(9.3e+13,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -53.33
S298 (cal/mol*K) = -33.81
G298 (kcal/mol) = -43.26
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), S(118); H8Si4(94), S(118); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH2(2)+H8Si4(94)=S(118) 9.300e+13 0.000 -0.454
481. SiH2(2) + H8Si4(94) ⇔ S(196) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+7.4+6.7+6.4
Arrhenius(A=(231291,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H)""")
H298 (kcal/mol) = -49.15
S298 (cal/mol*K) = -37.60
G298 (kcal/mol) = -37.94
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), S(196); H8Si4(94), S(196); ! Estimated using an average for rate rule (SiH2;Si_H) SiH2(2)+H8Si4(94)=S(196) 2.313e+11 0.000 -9.392
482. SiH2(2) + H8Si4(94) ⇔ S(197) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.8+7.7+7.0+6.7
Arrhenius(A=(462582,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -56.03
S298 (cal/mol*K) = -33.89
G298 (kcal/mol) = -45.93
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), S(197); H8Si4(94), S(197); ! Estimated using an average for rate rule (SiH2;Si_H) ! Multiplied by reaction path degeneracy 2 SiH2(2)+H8Si4(94)=S(197) 4.626e+11 0.000 -9.392
487. SiH3SiH(5) + H8Si4(94) ⇔ S(154) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -54.84
S298 (cal/mol*K) = -40.98
G298 (kcal/mol) = -42.63
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(154); H8Si4(94), S(154); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 2 SiH3SiH(5)+H8Si4(94)=S(154) 1.200e+10 0.000 -9.100
488. SiH3SiH(5) + H8Si4(94) ⇔ S(155) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -53.35
S298 (cal/mol*K) = -38.54
G298 (kcal/mol) = -41.86
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(155); H8Si4(94), S(155); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH3SiH(5)+H8Si4(94)=S(155) 1.800e+10 0.000 -9.100
489. SiH3SiH(5) + H8Si4(94) ⇔ S(224) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+5.8+5.1+4.8
Arrhenius(A=(6000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H)""")
H298 (kcal/mol) = -49.16
S298 (cal/mol*K) = -43.70
G298 (kcal/mol) = -36.14
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(224); H8Si4(94), S(224); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) SiH3SiH(5)+H8Si4(94)=S(224) 6.000e+09 0.000 -9.100
490. SiH3SiH(5) + H8Si4(94) ⇔ S(225) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -56.05
S298 (cal/mol*K) = -40.00
G298 (kcal/mol) = -44.13
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(225); H8Si4(94), S(225); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 2 SiH3SiH(5)+H8Si4(94)=S(225) 1.200e+10 0.000 -9.100
491. H4Si2(7) + H8Si4(94) ⇔ H3Si2(18) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 4.11
G298 (kcal/mol) = -5.19
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(18); H8Si4(94), H9Si4(42); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H8Si4(94)=H3Si2(18)+H9Si4(42) 1.558e+03 3.620 -0.129
492. H4Si2(7) + H8Si4(94) ⇔ H3Si2(18) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(18); H8Si4(94), H9Si4(41); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H8Si4(94)=H3Si2(18)+H9Si4(41) 1.558e+03 3.620 -0.129
493. H2Si2(19) + H8Si4(94) ⇔ HSi2(22) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 4.11
G298 (kcal/mol) = -5.19
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(19), HSi2(22); H8Si4(94), H9Si4(42); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H2Si2(19)+H8Si4(94)=HSi2(22)+H9Si4(42) 7.792e+02 3.620 -0.129
494. H2Si2(19) + H8Si4(94) ⇔ HSi2(22) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(19), HSi2(22); H8Si4(94), H9Si4(41); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H2Si2(19)+H8Si4(94)=HSi2(22)+H9Si4(41) 7.792e+02 3.620 -0.129
495. H2Si2(19) + H8Si4(94) ⇔ S(226) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -35.55
S298 (cal/mol*K) = -53.09
G298 (kcal/mol) = -19.73
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), S(226); H8Si4(94), S(226); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H2Si2(19)+H8Si4(94)=S(226) 3.720e+14 0.000 -0.454
496. H2Si2(19) + H8Si4(94) ⇔ S(227) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -50.68
G298 (kcal/mol) = -19.89
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), S(227); H8Si4(94), S(227); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H2Si2(19)+H8Si4(94)=S(227) 5.580e+14 0.000 -0.454
497. H2Si2(19) + H8Si4(94) ⇔ S(228) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -38.09
S298 (cal/mol*K) = -52.22
G298 (kcal/mol) = -22.53
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), S(228); H8Si4(94), S(228); ! Exact match found for rate rule (Si2S;Si_H) H2Si2(19)+H8Si4(94)=S(228) 1.860e+14 0.000 -0.454
498. H2Si2(19) + H8Si4(94) ⇔ S(229) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -37.69
S298 (cal/mol*K) = -50.76
G298 (kcal/mol) = -22.56
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), S(229); H8Si4(94), S(229); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H2Si2(19)+H8Si4(94)=S(229) 3.720e+14 0.000 -0.454
504. H9Si4(42) + H2Si(52) ⇔ H3Si(8) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4311,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -4.35
S298 (cal/mol*K) = 1.96
G298 (kcal/mol) = -4.93
! Template reaction: H_Abstraction ! Flux pairs: H2Si(52), H3Si(8); H9Si4(42), H8Si4(94); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) ! Multiplied by reaction path degeneracy 4 H9Si4(42)+H2Si(52)=H3Si(8)+H8Si4(94) 1.488e+08 1.617 6.556
505. H9Si4(41) + H2Si(52) ⇔ H3Si(8) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+5.9+6.7+7.1
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.5016,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -1.65
S298 (cal/mol*K) = 2.04
G298 (kcal/mol) = -2.25
! Template reaction: H_Abstraction ! Flux pairs: H2Si(52), H3Si(8); H9Si4(41), H8Si4(94); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 9 H9Si4(41)+H2Si(52)=H3Si(8)+H8Si4(94) 3.349e+08 1.617 6.573
506. H3Si(8) + H8Si4(94) ⇔ SiH4(1) + H7Si4(157) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.68
S298 (cal/mol*K) = -1.42
G298 (kcal/mol) = -5.26
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H8Si4(94), H7Si4(157); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 H3Si(8)+H8Si4(94)=SiH4(1)+H7Si4(157) 7.792e+02 3.620 -0.129
507. H3Si(8) + H8Si4(94) ⇔ SiH4(1) + H7Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+9.0+9.4
Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = -1.34
G298 (kcal/mol) = -2.58
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H8Si4(94), H7Si4(125); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 9 H3Si(8)+H8Si4(94)=SiH4(1)+H7Si4(125) 2.700e+03 3.580 -1.503
508. H3Si(8) + H8Si4(94) ⇔ SiH4(1) + H7Si4(234) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Si_silyl)""")
H298 (kcal/mol) = -9.71
S298 (cal/mol*K) = -1.99
G298 (kcal/mol) = -9.12
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H8Si4(94), H7Si4(234); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Si_silyl) H3Si(8)+H8Si4(94)=SiH4(1)+H7Si4(234) 3.153e+09 1.172 4.009
509. H3Si(8) + H8Si4(94) ⇔ SiH4(1) + H7Si4(235) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -6.33
S298 (cal/mol*K) = -1.99
G298 (kcal/mol) = -5.74
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H8Si4(94), H7Si4(235); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 2 H3Si(8)+H8Si4(94)=SiH4(1)+H7Si4(235) 6.305e+09 1.172 4.009
510. H3Si(8) + H8Si4(94) ⇔ H11Si5(60) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad)""")
H298 (kcal/mol) = -72.49
S298 (cal/mol*K) = -40.06
G298 (kcal/mol) = -60.55
! Template reaction: R_Recombination ! Flux pairs: H3Si(8), H11Si5(60); H8Si4(94), H11Si5(60); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad) H3Si(8)+H8Si4(94)=H11Si5(60) 7.206e+12 0.101 -0.195
511. H3Si(8) + H8Si4(94) ⇔ H11Si5(85) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad)""")
H298 (kcal/mol) = -73.70
S298 (cal/mol*K) = -39.08
G298 (kcal/mol) = -62.05
! Template reaction: R_Recombination ! Flux pairs: H3Si(8), H11Si5(85); H8Si4(94), H11Si5(85); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad) H3Si(8)+H8Si4(94)=H11Si5(85) 7.206e+12 0.101 -0.195
513. H5Si2(11) + H8Si4(94) ⇔ H4Si2(62) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -0.48
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), H4Si2(62); H8Si4(94), H9Si4(42); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H5Si2(11)+H8Si4(94)=H4Si2(62)+H9Si4(42) 6.305e+09 1.172 4.009
514. H5Si2(11) + H8Si4(94) ⇔ H4Si2(62) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -3.16
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), H4Si2(62); H8Si4(94), H9Si4(41); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H5Si2(11)+H8Si4(94)=H4Si2(62)+H9Si4(41) 6.305e+09 1.172 4.009
515. H5Si2(11) + H8Si4(94) ⇔ Si2H6(4) + H7Si4(157) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), Si2H6(4); H8Si4(94), H7Si4(157); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H5Si2(11)+H8Si4(94)=Si2H6(4)+H7Si4(157) 7.792e+02 3.620 -0.129
516. Si2H6(4) + H7Si4(125) ⇔ H5Si2(11) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: Si2H6(4), H5Si2(11); H7Si4(125), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 Si2H6(4)+H7Si4(125)=H5Si2(11)+H8Si4(94) 3.507e+03 3.620 -0.129
517. H5Si2(11) + H8Si4(94) ⇔ Si2H6(4) + H7Si4(234) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -6.12
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), Si2H6(4); H8Si4(94), H7Si4(234); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H5Si2(11)+H8Si4(94)=Si2H6(4)+H7Si4(234) 3.153e+09 1.172 4.009
518. H5Si2(11) + H8Si4(94) ⇔ Si2H6(4) + H7Si4(235) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), Si2H6(4); H8Si4(94), H7Si4(235); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H5Si2(11)+H8Si4(94)=Si2H6(4)+H7Si4(235) 6.305e+09 1.172 4.009
519. H5Si2(11) + H8Si4(94) ⇔ S(103) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -70.37
S298 (cal/mol*K) = -40.92
G298 (kcal/mol) = -58.17
! Template reaction: R_Recombination ! Flux pairs: H5Si2(11), S(103); H8Si4(94), S(103); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H5Si2(11)+H8Si4(94)=S(103) 7.206e+12 0.101 -0.195
520. H5Si2(11) + H8Si4(94) ⇔ S(104) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -71.58
S298 (cal/mol*K) = -38.56
G298 (kcal/mol) = -60.09
! Template reaction: R_Recombination ! Flux pairs: H5Si2(11), S(104); H8Si4(94), S(104); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H5Si2(11)+H8Si4(94)=S(104) 7.206e+12 0.101 -0.195
521. SiH2(2) + H7Si4(157) ⇔ HSi(10) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.50
S298 (cal/mol*K) = -3.76
G298 (kcal/mol) = -6.37
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H7Si4(157), H8Si4(94); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H7Si4(157)=HSi(10)+H8Si4(94) 7.792e+02 3.620 -0.129
522. SiH2(2) + H7Si4(125) ⇔ HSi(10) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.19
S298 (cal/mol*K) = -3.84
G298 (kcal/mol) = -9.05
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H7Si4(125), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H7Si4(125)=HSi(10)+H8Si4(94) 7.792e+02 3.620 -0.129
523. SiH2(2) + H7Si4(234) ⇔ HSi(10) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4541,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.47
S298 (cal/mol*K) = -3.19
G298 (kcal/mol) = -2.51
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H7Si4(234), H8Si4(94); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H7Si4(234)=HSi(10)+H8Si4(94) 1.488e+08 1.617 6.562
524. SiH2(2) + H7Si4(235) ⇔ HSi(10) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.3658,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.84
S298 (cal/mol*K) = -3.19
G298 (kcal/mol) = -5.89
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H7Si4(235), H8Si4(94); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H7Si4(235)=HSi(10)+H8Si4(94) 1.488e+08 1.617 6.541
525. HSi(10) + H8Si4(94) ⇔ H9Si5(174) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -44.63
S298 (cal/mol*K) = -32.42
G298 (kcal/mol) = -34.97
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H9Si5(174); H8Si4(94), H9Si5(174); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 HSi(10)+H8Si4(94)=H9Si5(174) 3.720e+14 0.000 -0.454
526. HSi(10) + H8Si4(94) ⇔ H9Si5(173) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -43.14
S298 (cal/mol*K) = -29.97
G298 (kcal/mol) = -34.21
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H9Si5(173); H8Si4(94), H9Si5(173); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 HSi(10)+H8Si4(94)=H9Si5(173) 5.580e+14 0.000 -0.454
527. HSi(10) + H8Si4(94) ⇔ H9Si5(238) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -38.95
S298 (cal/mol*K) = -35.13
G298 (kcal/mol) = -28.48
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H9Si5(238); H8Si4(94), H9Si5(238); ! Exact match found for rate rule (Si2S;Si_H) HSi(10)+H8Si4(94)=H9Si5(238) 1.860e+14 0.000 -0.454
528. HSi(10) + H8Si4(94) ⇔ H9Si5(175) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -45.84
S298 (cal/mol*K) = -30.05
G298 (kcal/mol) = -36.88
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H9Si5(175); H8Si4(94), H9Si5(175); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 HSi(10)+H8Si4(94)=H9Si5(175) 3.720e+14 0.000 -0.454
529. SiH3SiH(5) + H7Si4(157) ⇔ H3Si2(12) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -11.66
S298 (cal/mol*K) = -0.84
G298 (kcal/mol) = -11.40
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H7Si4(157), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H7Si4(157)=H3Si2(12)+H8Si4(94) 1.753e+03 3.620 -0.129
530. SiH3SiH(5) + H7Si4(125) ⇔ H3Si2(12) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -0.92
G298 (kcal/mol) = -14.08
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H7Si4(125), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H7Si4(125)=H3Si2(12)+H8Si4(94) 1.753e+03 3.620 -0.129
531. SiH3SiH(5) + H7Si4(234) ⇔ H3Si2(12) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+5.9+6.7+7.1
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.3453,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.63
S298 (cal/mol*K) = -0.27
G298 (kcal/mol) = -7.54
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H7Si4(234), H8Si4(94); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H7Si4(234)=H3Si2(12)+H8Si4(94) 3.349e+08 1.617 6.536
532. SiH3SiH(5) + H7Si4(235) ⇔ H3Si2(12) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+6.0+6.7+7.2
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.257,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -11.00
S298 (cal/mol*K) = -0.27
G298 (kcal/mol) = -10.92
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H7Si4(235), H8Si4(94); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet_Si_H) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H7Si4(235)=H3Si2(12)+H8Si4(94) 3.349e+08 1.617 6.515
533. H3Si2(12) + H8Si4(94) ⇔ S(178) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -40.49
S298 (cal/mol*K) = -40.06
G298 (kcal/mol) = -28.55
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(178); H8Si4(94), S(178); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H3Si2(12)+H8Si4(94)=S(178) 1.200e+10 0.000 -9.100
534. H3Si2(12) + H8Si4(94) ⇔ S(180) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -39.00
S298 (cal/mol*K) = -37.62
G298 (kcal/mol) = -27.79
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(180); H8Si4(94), S(180); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H3Si2(12)+H8Si4(94)=S(180) 1.800e+10 0.000 -9.100
535. H3Si2(12) + H8Si4(94) ⇔ S(241) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+5.8+5.1+4.8
Arrhenius(A=(6000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H)""")
H298 (kcal/mol) = -34.81
S298 (cal/mol*K) = -41.40
G298 (kcal/mol) = -22.47
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(241); H8Si4(94), S(241); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) H3Si2(12)+H8Si4(94)=S(241) 6.000e+09 0.000 -9.100
536. H3Si2(12) + H8Si4(94) ⇔ S(242) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -41.69
S298 (cal/mol*K) = -37.70
G298 (kcal/mol) = -30.46
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(242); H8Si4(94), S(242); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 2 H3Si2(12)+H8Si4(94)=S(242) 1.200e+10 0.000 -9.100
537. H6Si3(64) + H9Si4(42) ⇔ H7Si3(31) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 1.30
G298 (kcal/mol) = -3.09
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(64), H7Si3(31); H9Si4(42), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H6Si3(64)+H9Si4(42)=H7Si3(31)+H8Si4(94) 1.558e+03 3.620 -0.129
538. H6Si3(64) + H9Si4(41) ⇔ H7Si3(31) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(64), H7Si3(31); H9Si4(41), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H6Si3(64)+H9Si4(41)=H7Si3(31)+H8Si4(94) 3.507e+03 3.620 -0.129
540. H7Si3(31) + H8Si4(94) ⇔ H9Si4(42) + H6Si3(92) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -0.48
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), H6Si3(92); H8Si4(94), H9Si4(42); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H7Si3(31)+H8Si4(94)=H9Si4(42)+H6Si3(92) 6.305e+09 1.172 4.009
541. H7Si3(31) + H8Si4(94) ⇔ H9Si4(41) + H6Si3(92) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -3.16
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), H6Si3(92); H8Si4(94), H9Si4(41); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H7Si3(31)+H8Si4(94)=H9Si4(41)+H6Si3(92) 6.305e+09 1.172 4.009
542. H7Si3(31) + H8Si4(94) ⇔ Si3H8(6) + H7Si4(157) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), Si3H8(6); H8Si4(94), H7Si4(157); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si3(31)+H8Si4(94)=Si3H8(6)+H7Si4(157) 7.792e+02 3.620 -0.129
543. H7Si4(125) + Si3H8(6) ⇔ H7Si3(31) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: Si3H8(6), H7Si3(31); H7Si4(125), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H7Si4(125)+Si3H8(6)=H7Si3(31)+H8Si4(94) 3.507e+03 3.620 -0.129
544. H7Si3(31) + H8Si4(94) ⇔ Si3H8(6) + H7Si4(234) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -6.12
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), Si3H8(6); H8Si4(94), H7Si4(234); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H7Si3(31)+H8Si4(94)=Si3H8(6)+H7Si4(234) 3.153e+09 1.172 4.009
545. H7Si3(31) + H8Si4(94) ⇔ Si3H8(6) + H7Si4(235) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), Si3H8(6); H8Si4(94), H7Si4(235); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H7Si3(31)+H8Si4(94)=Si3H8(6)+H7Si4(235) 6.305e+09 1.172 4.009
546. H9Si4(42) + H8Si4(94) ⇔ H9Si4(42) + H8Si4(78) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = 0.00
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(78); H8Si4(94), H9Si4(42); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H9Si4(42)+H8Si4(94)=H9Si4(42)+H8Si4(78) 7.792e+02 3.620 -0.129
547. H9Si4(42) + H8Si4(94) ⇔ H9Si4(41) + H8Si4(78) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(78); H8Si4(94), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H9Si4(42)+H8Si4(94)=H9Si4(41)+H8Si4(78) 7.792e+02 3.620 -0.129
549. H9Si4(42) + H8Si4(77) ⇔ H9Si4(42) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 1.30
G298 (kcal/mol) = -3.09
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(77), H9Si4(42); H9Si4(42), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H9Si4(42)+H8Si4(77)=H9Si4(42)+H8Si4(94) 1.558e+03 3.620 -0.129
550. H9Si4(41) + H8Si4(77) ⇔ H9Si4(42) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(77), H9Si4(42); H9Si4(41), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H9Si4(41)+H8Si4(77)=H9Si4(42)+H8Si4(94) 3.507e+03 3.620 0.000
551. H9Si4(42) + H8Si4(94) ⇔ H9Si4(42) + H8Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -0.48
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(115); H8Si4(94), H9Si4(42); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H9Si4(42)+H8Si4(94)=H9Si4(42)+H8Si4(115) 6.305e+09 1.172 4.009
552. H9Si4(42) + H8Si4(94) ⇔ H9Si4(41) + H8Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -3.16
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(115); H8Si4(94), H9Si4(41); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H9Si4(42)+H8Si4(94)=H9Si4(41)+H8Si4(115) 6.305e+09 1.172 4.009
553. H9Si4(42) + H8Si4(94) ⇔ H10Si4(16) + H7Si4(157) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H10Si4(16); H8Si4(94), H7Si4(157); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H9Si4(42)+H8Si4(94)=H10Si4(16)+H7Si4(157) 7.792e+02 3.620 -0.129
554. H7Si4(125) + H10Si4(16) ⇔ H9Si4(42) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H10Si4(16), H9Si4(42); H7Si4(125), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H7Si4(125)+H10Si4(16)=H9Si4(42)+H8Si4(94) 3.507e+03 3.620 -0.129
555. H9Si4(42) + H8Si4(94) ⇔ H10Si4(16) + H7Si4(234) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -6.12
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H10Si4(16); H8Si4(94), H7Si4(234); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H9Si4(42)+H8Si4(94)=H10Si4(16)+H7Si4(234) 3.153e+09 1.172 4.009
556. H9Si4(42) + H8Si4(94) ⇔ H10Si4(16) + H7Si4(235) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H10Si4(16); H8Si4(94), H7Si4(235); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H9Si4(42)+H8Si4(94)=H10Si4(16)+H7Si4(235) 6.305e+09 1.172 4.009
557. H4Si2(53) + H8Si4(94) ⇔ H3Si2(116) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.5+6.7+7.2+7.5
Arrhenius(A=(12610.8,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.89
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H3Si2(116); H8Si4(94), H9Si4(42); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H8Si4(94)=H3Si2(116)+H9Si4(42) 1.261e+10 1.172 4.009
558. H4Si2(53) + H8Si4(94) ⇔ H3Si2(116) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.5+6.7+7.2+7.5
Arrhenius(A=(12610.8,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = 0.73
G298 (kcal/mol) = -3.57
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H3Si2(116); H8Si4(94), H9Si4(41); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H8Si4(94)=H3Si2(116)+H9Si4(41) 1.261e+10 1.172 4.009
559. H4Si2(53) + H8Si4(94) ⇔ H5Si2(11) + H7Si4(157) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 1.30
G298 (kcal/mol) = -3.09
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H5Si2(11); H8Si4(94), H7Si4(157); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si2(53)+H8Si4(94)=H5Si2(11)+H7Si4(157) 1.558e+03 3.620 -0.129
560. H4Si2(53) + H8Si4(94) ⇔ H7Si4(125) + H5Si2(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H5Si2(11); H8Si4(94), H7Si4(125); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si2(53)+H8Si4(94)=H7Si4(125)+H5Si2(11) 3.507e+03 3.620 0.001
561. H4Si2(53) + H8Si4(94) ⇔ H5Si2(11) + H7Si4(234) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = 0.73
G298 (kcal/mol) = -6.94
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H5Si2(11); H8Si4(94), H7Si4(234); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H4Si2(53)+H8Si4(94)=H5Si2(11)+H7Si4(234) 6.305e+09 1.172 4.009
562. H4Si2(53) + H8Si4(94) ⇔ H5Si2(11) + H7Si4(235) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.5+6.7+7.2+7.5
Arrhenius(A=(12610.8,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = 0.73
G298 (kcal/mol) = -3.57
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H5Si2(11); H8Si4(94), H7Si4(235); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H8Si4(94)=H5Si2(11)+H7Si4(235) 1.261e+10 1.172 4.009
563. H4Si2(53) + H8Si4(94) ⇔ S(122) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -70.37
S298 (cal/mol*K) = -39.55
G298 (kcal/mol) = -58.59
! Template reaction: R_Recombination ! Flux pairs: H4Si2(53), S(122); H8Si4(94), S(122); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) ! Multiplied by reaction path degeneracy 2 H4Si2(53)+H8Si4(94)=S(122) 1.441e+13 0.101 -0.195
564. H4Si2(53) + H8Si4(94) ⇔ S(243) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -71.58
S298 (cal/mol*K) = -37.18
G298 (kcal/mol) = -60.50
! Template reaction: R_Recombination ! Flux pairs: H4Si2(53), S(243); H8Si4(94), S(243); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) ! Multiplied by reaction path degeneracy 2 H4Si2(53)+H8Si4(94)=S(243) 1.441e+13 0.101 -0.195
565. H9Si4(59) + H9Si4(42) ⇔ H10Si4(34) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -2.26
G298 (kcal/mol) = -2.02
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(59), H10Si4(34); H9Si4(42), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H9Si4(59)+H9Si4(42)=H10Si4(34)+H8Si4(94) 7.792e+02 3.620 -0.129
566. H10Si4(34) + H8Si4(94) ⇔ H9Si4(59) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+8.6+9.2+9.7
Arrhenius(A=(0.00525981,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 27 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 2.18
G298 (kcal/mol) = -0.65
! Template reaction: H_Abstraction ! Flux pairs: H10Si4(34), H9Si4(59); H8Si4(94), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 27 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H10Si4(34)+H8Si4(94)=H9Si4(59)+H9Si4(41) 5.260e+03 3.620 0.000
567. H9Si4(126) + H9Si4(42) ⇔ H10Si4(34) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.68
S298 (cal/mol*K) = 2.72
G298 (kcal/mol) = -6.49
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(126), H10Si4(34); H9Si4(42), H8Si4(94); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H9Si4(126)+H9Si4(42)=H10Si4(34)+H8Si4(94) 7.792e+02 3.620 -0.129
568. H9Si4(126) + H9Si4(41) ⇔ H10Si4(34) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = 2.79
G298 (kcal/mol) = -3.81
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(126), H10Si4(34); H9Si4(41), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 H9Si4(126)+H9Si4(41)=H10Si4(34)+H8Si4(94) 1.753e+03 3.620 -0.129
569. H2Si2(66) + H8Si4(94) ⇔ S(248) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -29.26
S298 (cal/mol*K) = -32.69
G298 (kcal/mol) = -19.52
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), S(248); H8Si4(94), S(248); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H2Si2(66)+H8Si4(94)=S(248) 3.720e+14 0.000 -0.454
570. H2Si2(66) + H8Si4(94) ⇔ S(249) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -27.77
S298 (cal/mol*K) = -31.62
G298 (kcal/mol) = -18.35
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), S(249); H8Si4(94), S(249); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H2Si2(66)+H8Si4(94)=S(249) 5.580e+14 0.000 -0.454
571. H2Si2(66) + H8Si4(94) ⇔ S(250) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -23.59
S298 (cal/mol*K) = -34.03
G298 (kcal/mol) = -13.44
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), S(250); H8Si4(94), S(250); ! Exact match found for rate rule (Si2S;Si_H) H2Si2(66)+H8Si4(94)=S(250) 1.860e+14 0.000 -0.454
572. H2Si2(66) + H8Si4(94) ⇔ S(251) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -30.47
S298 (cal/mol*K) = -30.33
G298 (kcal/mol) = -21.43
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), S(251); H8Si4(94), S(251); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H2Si2(66)+H8Si4(94)=S(251) 3.720e+14 0.000 -0.454
573. H5Si3(48) + H9Si4(42) ⇔ H6Si3(20) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(48), H6Si3(20); H9Si4(42), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H5Si3(48)+H9Si4(42)=H6Si3(20)+H8Si4(94) 7.792e+02 3.620 -0.129
574. H6Si3(20) + H8Si4(94) ⇔ H5Si3(48) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(3.72529e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(20), H5Si3(48); H8Si4(94), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H6Si3(20)+H8Si4(94)=H5Si3(48)+H9Si4(41) 1.753e+03 3.620 0.000
575. H6Si3(20) + H8Si4(94) ⇔ H5Si3(129) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad)""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(20), H5Si3(129); H8Si4(94), H9Si4(42); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) H6Si3(20)+H8Si4(94)=H5Si3(129)+H9Si4(42) 1.948e+02 3.620 -0.129
576. H6Si3(20) + H8Si4(94) ⇔ H5Si3(129) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(20), H5Si3(129); H8Si4(94), H9Si4(41); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si3(20)+H8Si4(94)=H5Si3(129)+H9Si4(41) 1.948e+02 3.620 -0.129
577. H6Si3(20) + H8Si4(94) ⇔ H5Si3(130) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(20), H5Si3(130); H8Si4(94), H9Si4(42); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(20)+H8Si4(94)=H5Si3(130)+H9Si4(42) 7.792e+02 3.620 -0.129
578. H6Si3(20) + H8Si4(94) ⇔ H5Si3(130) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(20), H5Si3(130); H8Si4(94), H9Si4(41); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(20)+H8Si4(94)=H5Si3(130)+H9Si4(41) 7.792e+02 3.620 -0.129
579. H5Si3(119) + H9Si4(42) ⇔ H6Si3(65) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 1.30
G298 (kcal/mol) = -3.09
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(119), H6Si3(65); H9Si4(42), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H5Si3(119)+H9Si4(42)=H6Si3(65)+H8Si4(94) 1.558e+03 3.620 -0.129
580. H5Si3(119) + H9Si4(41) ⇔ H6Si3(65) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(119), H6Si3(65); H9Si4(41), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H5Si3(119)+H9Si4(41)=H6Si3(65)+H8Si4(94) 3.507e+03 3.620 -0.129
581. H6Si3(65) + H8Si4(94) ⇔ H9Si4(42) + H5Si3(201) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -4.03
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -3.86
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H5Si3(201); H8Si4(94), H9Si4(42); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H6Si3(65)+H8Si4(94)=H9Si4(42)+H5Si3(201) 3.153e+09 1.172 4.009
582. H6Si3(65) + H8Si4(94) ⇔ H9Si4(41) + H5Si3(201) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -6.53
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H5Si3(201); H8Si4(94), H9Si4(41); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H6Si3(65)+H8Si4(94)=H9Si4(41)+H5Si3(201) 3.153e+09 1.172 4.009
583. H6Si3(65) + H8Si4(94) ⇔ H9Si4(42) + H5Si3(202) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -0.48
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H5Si3(202); H8Si4(94), H9Si4(42); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H8Si4(94)=H9Si4(42)+H5Si3(202) 6.305e+09 1.172 4.009
584. H6Si3(65) + H8Si4(94) ⇔ H9Si4(41) + H5Si3(202) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -3.16
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H5Si3(202); H8Si4(94), H9Si4(41); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H8Si4(94)=H9Si4(41)+H5Si3(202) 6.305e+09 1.172 4.009
585. H7Si3(31) + H7Si4(157) ⇔ H6Si3(65) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), H6Si3(65); H7Si4(157), H8Si4(94); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H7Si3(31)+H7Si4(157)=H6Si3(65)+H8Si4(94) 7.792e+02 3.620 -0.129
586. H7Si4(125) + H7Si3(31) ⇔ H6Si3(65) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), H6Si3(65); H7Si4(125), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si4(125)+H7Si3(31)=H6Si3(65)+H8Si4(94) 7.792e+02 3.620 -0.129
587. H6Si3(65) + H8Si4(94) ⇔ H7Si3(31) + H7Si4(234) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -4.03
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -3.86
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H7Si3(31); H8Si4(94), H7Si4(234); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H6Si3(65)+H8Si4(94)=H7Si3(31)+H7Si4(234) 3.153e+09 1.172 4.009
588. H6Si3(65) + H8Si4(94) ⇔ H7Si3(31) + H7Si4(235) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -0.48
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H7Si3(31); H8Si4(94), H7Si4(235); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H8Si4(94)=H7Si3(31)+H7Si4(235) 6.305e+09 1.172 4.009
589. H6Si3(65) + H8Si4(94) ⇔ H7Si3(32) + H7Si4(157) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H7Si3(32); H8Si4(94), H7Si4(157); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(65)+H8Si4(94)=H7Si3(32)+H7Si4(157) 7.792e+02 3.620 -0.129
590. H7Si4(125) + H7Si3(32) ⇔ H6Si3(65) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(32), H6Si3(65); H7Si4(125), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H7Si4(125)+H7Si3(32)=H6Si3(65)+H8Si4(94) 3.507e+03 3.620 -0.129
591. H6Si3(65) + H8Si4(94) ⇔ H7Si3(32) + H7Si4(234) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -6.12
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H7Si3(32); H8Si4(94), H7Si4(234); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H6Si3(65)+H8Si4(94)=H7Si3(32)+H7Si4(234) 3.153e+09 1.172 4.009
592. H6Si3(65) + H8Si4(94) ⇔ H7Si3(32) + H7Si4(235) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -2.75
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H7Si3(32); H8Si4(94), H7Si4(235); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H8Si4(94)=H7Si3(32)+H7Si4(235) 6.305e+09 1.172 4.009
593. H9Si4(42) + H7Si4(157) ⇔ H8Si4(94) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(157), H8Si4(94); H9Si4(42), H8Si4(94); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H9Si4(42)+H7Si4(157)=H8Si4(94)+H8Si4(94) 7.792e+02 3.620 -0.129
594. H8Si4(94) + H8Si4(94) ⇔ H9Si4(41) + H7Si4(157) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H7Si4(157); H8Si4(94), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H8Si4(94)+H8Si4(94)=H9Si4(41)+H7Si4(157) 7.792e+02 3.620 -0.129
595. H7Si4(125) + H9Si4(42) ⇔ H8Si4(94) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(125), H8Si4(94); H9Si4(42), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si4(125)+H9Si4(42)=H8Si4(94)+H8Si4(94) 7.792e+02 3.620 -0.129
596. H7Si4(125) + H9Si4(41) ⇔ H8Si4(94) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(125), H8Si4(94); H9Si4(41), H8Si4(94); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H7Si4(125)+H9Si4(41)=H8Si4(94)+H8Si4(94) 1.753e+03 3.620 -0.129
597. H8Si4(94) + H8Si4(94) ⇔ H9Si4(42) + H7Si4(234) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -4.03
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -3.86
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H7Si4(234); H8Si4(94), H9Si4(42); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H8Si4(94)+H8Si4(94)=H9Si4(42)+H7Si4(234) 3.153e+09 1.172 4.009
598. H8Si4(94) + H8Si4(94) ⇔ H9Si4(41) + H7Si4(234) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -6.53
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H7Si4(234); H8Si4(94), H9Si4(41); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H8Si4(94)+H8Si4(94)=H9Si4(41)+H7Si4(234) 3.153e+09 1.172 4.009
599. H8Si4(94) + H8Si4(94) ⇔ H9Si4(42) + H7Si4(235) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -0.48
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H7Si4(235); H8Si4(94), H9Si4(42); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H8Si4(94)+H8Si4(94)=H9Si4(42)+H7Si4(235) 6.305e+09 1.172 4.009
600. H8Si4(94) + H8Si4(94) ⇔ H9Si4(41) + H7Si4(235) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -3.35
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -3.16
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H7Si4(235); H8Si4(94), H9Si4(41); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H8Si4(94)+H8Si4(94)=H9Si4(41)+H7Si4(235) 6.305e+09 1.172 4.009
601. H3Si(8) + H5Si3(48) ⇔ H8Si4(21) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl)""")
H298 (kcal/mol) = -72.98
S298 (cal/mol*K) = -37.94
G298 (kcal/mol) = -61.67
! Template reaction: R_Recombination ! Flux pairs: H5Si3(48), H8Si4(21); H3Si(8), H8Si4(21); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_silyl) H3Si(8)+H5Si3(48)=H8Si4(21) 7.206e+12 0.101 -0.195
602. H5Si2(11) + H3Si2(18) ⇔ H8Si4(21) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -63.70
S298 (cal/mol*K) = -45.28
G298 (kcal/mol) = -50.21
! Template reaction: R_Recombination ! Flux pairs: H3Si2(18), H8Si4(21); H5Si2(11), H8Si4(21); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H5Si2(11)+H3Si2(18)=H8Si4(21) 7.206e+12 0.101 -0.195
603. H7Si4(56) + H(9) ⇔ H8Si4(21) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -86.75
S298 (cal/mol*K) = -28.96
G298 (kcal/mol) = -78.12
! Template reaction: R_Recombination ! Flux pairs: H7Si4(56), H8Si4(21); H(9), H8Si4(21); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H7Si4(56)+H(9)=H8Si4(21) 7.206e+12 0.101 -0.195
604. H7Si4(55) + H(9) ⇔ H8Si4(21) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -89.44
S298 (cal/mol*K) = -29.04
G298 (kcal/mol) = -80.79
! Template reaction: R_Recombination ! Flux pairs: H7Si4(55), H8Si4(21); H(9), H8Si4(21); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H7Si4(55)+H(9)=H8Si4(21) 7.206e+12 0.101 -0.195
605. H(9) + H7Si4(252) ⇔ H8Si4(21) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -82.78
S298 (cal/mol*K) = -31.69
G298 (kcal/mol) = -73.34
! Template reaction: R_Recombination ! Flux pairs: H7Si4(252), H8Si4(21); H(9), H8Si4(21); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(9)+H7Si4(252)=H8Si4(21) 7.206e+12 0.101 -0.195
606. H(9) + H7Si4(253) ⇔ H8Si4(21) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -82.78
S298 (cal/mol*K) = -31.69
G298 (kcal/mol) = -73.34
! Template reaction: R_Recombination ! Flux pairs: H7Si4(253), H8Si4(21); H(9), H8Si4(21); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(9)+H7Si4(253)=H8Si4(21) 7.206e+12 0.101 -0.195
607. H8Si4(43) ⇔ H8Si4(21) Silylene_to_Silene
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.3+11.4+11.7+11.9
Arrhenius(A=(2.505e+12,'1/s'), n=0, Ea=(19.6648,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiSiSiH3) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -11.55
S298 (cal/mol*K) = -0.35
G298 (kcal/mol) = -11.45
! Template reaction: Silylene_to_Silene ! Flux pairs: H8Si4(43), H8Si4(21); ! Exact match found for rate rule (SiSiSiH3) ! Multiplied by reaction path degeneracy 3 H8Si4(43)=H8Si4(21) 2.505e+12 0.000 4.700
608. H2(3) + H6Si4(254) ⇔ H8Si4(21) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -29.20
S298 (cal/mol*K) = -12.03
G298 (kcal/mol) = -25.61
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H8Si4(21); H6Si4(254), H8Si4(21); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(3)+H6Si4(254)=H8Si4(21) 2.400e+13 0.000 -0.500
609. SiH4(1) + H4Si3(131) ⇔ H8Si4(21) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.4+6.4+5.7+5.4
Arrhenius(A=(2.4e+10,'cm^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;SiH4) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -24.68
S298 (cal/mol*K) = -15.52
G298 (kcal/mol) = -20.06
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(1), H8Si4(21); H4Si3(131), H8Si4(21); ! Exact match found for rate rule (Si-Si-H;SiH4) ! Multiplied by reaction path degeneracy 4 SiH4(1)+H4Si3(131)=H8Si4(21) 2.400e+10 0.000 -9.100
610. SiH2(2) + H8Si4(21) ⇔ H10Si5(38) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.3+7.8+7.0+6.5
Arrhenius(A=(1.9e+11,'cm^3/(mol*s)'), n=0, Ea=(-48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiH2;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -53.90
S298 (cal/mol*K) = -36.23
G298 (kcal/mol) = -43.10
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H10Si5(38); H8Si4(21), H10Si5(38); ! Exact match found for rate rule (SiH2;SiH2_R2) ! Multiplied by reaction path degeneracy 2 SiH2(2)+H8Si4(21)=H10Si5(38) 1.900e+11 0.000 -11.600
611. SiH2(2) + H8Si4(21) ⇔ H10Si5(37) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+8.1+8.0+8.0
Arrhenius(A=(9.3e+13,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -53.33
S298 (cal/mol*K) = -33.81
G298 (kcal/mol) = -43.26
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H10Si5(37); H8Si4(21), H10Si5(37); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH2(2)+H8Si4(21)=H10Si5(37) 9.300e+13 0.000 -0.454
612. SiH2(2) + H8Si4(21) ⇔ S(140) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+7.4+6.7+6.4
Arrhenius(A=(231291,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H)""")
H298 (kcal/mol) = -57.16
S298 (cal/mol*K) = -35.12
G298 (kcal/mol) = -46.69
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), S(140); H8Si4(21), S(140); ! Estimated using an average for rate rule (SiH2;Si_H) SiH2(2)+H8Si4(21)=S(140) 2.313e+11 0.000 -9.392
613. SiH2(2) + H8Si4(21) ⇔ S(141) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.8+7.7+7.0+6.7
Arrhenius(A=(462582,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -55.25
S298 (cal/mol*K) = -35.74
G298 (kcal/mol) = -44.60
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), S(141); H8Si4(21), S(141); ! Estimated using an average for rate rule (SiH2;Si_H) ! Multiplied by reaction path degeneracy 2 SiH2(2)+H8Si4(21)=S(141) 4.626e+11 0.000 -9.392
614. SiH3SiH(5) + H8Si4(21) ⇔ H12Si6(46) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -53.91
S298 (cal/mol*K) = -40.95
G298 (kcal/mol) = -41.70
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H12Si6(46); H8Si4(21), H12Si6(46); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 2 SiH3SiH(5)+H8Si4(21)=H12Si6(46) 1.200e+10 0.000 -9.100
615. SiH3SiH(5) + H8Si4(21) ⇔ H12Si6(47) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -53.35
S298 (cal/mol*K) = -38.54
G298 (kcal/mol) = -41.86
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), H12Si6(47); H8Si4(21), H12Si6(47); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH3SiH(5)+H8Si4(21)=H12Si6(47) 1.800e+10 0.000 -9.100
616. SiH3SiH(5) + H8Si4(21) ⇔ S(255) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+5.8+5.1+4.8
Arrhenius(A=(6000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H)""")
H298 (kcal/mol) = -56.45
S298 (cal/mol*K) = -41.46
G298 (kcal/mol) = -44.09
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(255); H8Si4(21), S(255); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) SiH3SiH(5)+H8Si4(21)=S(255) 6.000e+09 0.000 -9.100
617. SiH3SiH(5) + H8Si4(21) ⇔ S(256) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -54.54
S298 (cal/mol*K) = -42.08
G298 (kcal/mol) = -42.00
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(256); H8Si4(21), S(256); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 2 SiH3SiH(5)+H8Si4(21)=S(256) 1.200e+10 0.000 -9.100
618. H4Si2(7) + H(9) ⇔ H2(3) + H3Si2(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.3+8.5+8.7
Arrhenius(A=(7.95e+08,'cm^3/(mol*s)'), n=1.76, Ea=(-1.42,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Matched reaction 1014 Si2H4 + H <=> SiHSiH2 + H2 in H_Abstraction/training""")
H298 (kcal/mol) = -21.42
S298 (cal/mol*K) = 9.46
G298 (kcal/mol) = -24.24
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(18); H(9), H2(3); ! Matched reaction 1014 Si2H4 + H <=> SiHSiH2 + H2 in H_Abstraction/training H4Si2(7)+H(9)=H2(3)+H3Si2(18) 7.950e+08 1.760 -0.339
619. H(9) + H2Si2(19) ⇔ H2(3) + HSi2(22) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.3+8.5+8.7
Arrhenius(A=(7.95e+08,'cm^3/(mol*s)'), n=1.76, Ea=(-1.42,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sid_Si_H2;H_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -21.42
S298 (cal/mol*K) = 9.46
G298 (kcal/mol) = -24.24
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(19), HSi2(22); H(9), H2(3); ! Exact match found for rate rule (Sid_Si_H2;H_rad) ! Multiplied by reaction path degeneracy 4 H(9)+H2Si2(19)=H2(3)+HSi2(22) 7.950e+08 1.760 -0.339
620. H2Si2(19) + H8Si4(21) ⇔ S(257) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -40.75
S298 (cal/mol*K) = -73.50
G298 (kcal/mol) = -18.85
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), S(257); H8Si4(21), S(257); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H2Si2(19)+H8Si4(21)=S(257) 3.720e+14 0.000 -0.454
621. H2Si2(19) + H8Si4(21) ⇔ S(258) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -52.06
G298 (kcal/mol) = -19.48
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), S(258); H8Si4(21), S(258); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H2Si2(19)+H8Si4(21)=S(258) 5.580e+14 0.000 -0.454
622. H2Si2(19) + H8Si4(21) ⇔ S(259) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -88.36
S298 (cal/mol*K) = -107.68
G298 (kcal/mol) = -56.27
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), S(259); H8Si4(21), S(259); ! Exact match found for rate rule (Si2S;Si_H) H2Si2(19)+H8Si4(21)=S(259) 1.860e+14 0.000 -0.454
623. H2Si2(19) + H8Si4(21) ⇔ S(260) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -90.76
S298 (cal/mol*K) = -125.74
G298 (kcal/mol) = -53.29
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), S(260); H8Si4(21), S(260); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H2Si2(19)+H8Si4(21)=S(260) 3.720e+14 0.000 -0.454
626. H3Si(8) + H(9) ⇔ H2(3) + H2Si(52) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+8.4+8.6+8.8
Arrhenius(A=(1273.5,'m^3/(mol*s)'), n=1.69, Ea=(-4.42,'kJ/mol'), T0=(1,'K'), comment="""Sirad_Si_H2;H_radExact match found for rate rule (Sirad_H;H_rad) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -13.11
S298 (cal/mol*K) = 3.40
G298 (kcal/mol) = -14.12
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), H2Si(52); H(9), H2(3); ! Sirad_Si_H2;H_radExact match found for rate rule (Sirad_H;H_rad) ! Multiplied by reaction path degeneracy 3 H3Si(8)+H(9)=H2(3)+H2Si(52) 1.274e+09 1.690 -1.056
628. H3Si(8) + H8Si4(21) ⇔ SiH4(1) + H7Si4(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.68
S298 (cal/mol*K) = -1.42
G298 (kcal/mol) = -5.26
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H8Si4(21), H7Si4(56); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 H3Si(8)+H8Si4(21)=SiH4(1)+H7Si4(56) 7.792e+02 3.620 -0.129
629. H3Si(8) + H8Si4(21) ⇔ SiH4(1) + H7Si4(55) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+9.0+9.4
Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = -1.34
G298 (kcal/mol) = -2.58
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H8Si4(21), H7Si4(55); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 9 H3Si(8)+H8Si4(21)=SiH4(1)+H7Si4(55) 2.700e+03 3.580 -1.503
630. H3Si(8) + H8Si4(21) ⇔ SiH4(1) + H7Si4(252) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl)""")
H298 (kcal/mol) = -9.64
S298 (cal/mol*K) = 1.32
G298 (kcal/mol) = -10.03
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H8Si4(21), H7Si4(252); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Si_silyl) H3Si(8)+H8Si4(21)=SiH4(1)+H7Si4(252) 1.948e+02 3.620 -0.129
631. H3Si(8) + H8Si4(21) ⇔ SiH4(1) + H7Si4(253) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -9.64
S298 (cal/mol*K) = 1.32
G298 (kcal/mol) = -10.03
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H8Si4(21), H7Si4(253); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Si_silyl) ! Multiplied by reaction path degeneracy 4 H3Si(8)+H8Si4(21)=SiH4(1)+H7Si4(253) 7.792e+02 3.620 -0.129
632. H2(3) + H4Si2(62) ⇔ H(9) + H5Si2(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) -1.5+3.3+5.1+6.1
Arrhenius(A=(252000,'cm^3/(mol*s)'), n=2.64, Ea=(77.2609,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Matched reaction 1012 SiHSiH3 + H2 <=> SiH2SiH3-1 + H in H_Abstraction/training Ea raised from 74.1 to 77.3 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 18.11
S298 (cal/mol*K) = -4.78
G298 (kcal/mol) = 19.54
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(62), H5Si2(11); H2(3), H(9); ! Matched reaction 1012 SiHSiH3 + H2 <=> SiH2SiH3-1 + H in H_Abstraction/training ! Ea raised from 74.1 to 77.3 kJ/mol to match endothermicity of reaction. H2(3)+H4Si2(62)=H(9)+H5Si2(11) 2.520e+05 2.640 18.466
633. H5Si2(11) + H8Si4(21) ⇔ Si2H6(4) + H7Si4(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), Si2H6(4); H8Si4(21), H7Si4(56); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H5Si2(11)+H8Si4(21)=Si2H6(4)+H7Si4(56) 7.792e+02 3.620 -0.129
634. Si2H6(4) + H7Si4(55) ⇔ H5Si2(11) + H8Si4(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: Si2H6(4), H5Si2(11); H7Si4(55), H8Si4(21); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 Si2H6(4)+H7Si4(55)=H5Si2(11)+H8Si4(21) 3.507e+03 3.620 -0.129
635. H5Si2(11) + H8Si4(21) ⇔ Si2H6(4) + H7Si4(252) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), Si2H6(4); H8Si4(21), H7Si4(252); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H5Si2(11)+H8Si4(21)=Si2H6(4)+H7Si4(252) 1.948e+02 3.620 -0.129
636. H5Si2(11) + H8Si4(21) ⇔ Si2H6(4) + H7Si4(253) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), Si2H6(4); H8Si4(21), H7Si4(253); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H5Si2(11)+H8Si4(21)=Si2H6(4)+H7Si4(253) 7.792e+02 3.620 -0.129
637. SiH2(2) + H7Si4(56) ⇔ HSi(10) + H8Si4(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -7.50
S298 (cal/mol*K) = -3.76
G298 (kcal/mol) = -6.37
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H7Si4(56), H8Si4(21); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H7Si4(56)=HSi(10)+H8Si4(21) 7.792e+02 3.620 -0.129
638. SiH2(2) + H7Si4(55) ⇔ HSi(10) + H8Si4(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.19
S298 (cal/mol*K) = -3.84
G298 (kcal/mol) = -9.05
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H7Si4(55), H8Si4(21); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H7Si4(55)=HSi(10)+H8Si4(21) 7.792e+02 3.620 -0.129
639. SiH2(2) + H7Si4(252) ⇔ HSi(10) + H8Si4(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.53
S298 (cal/mol*K) = -6.49
G298 (kcal/mol) = -1.60
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H7Si4(252), H8Si4(21); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H7Si4(252)=HSi(10)+H8Si4(21) 7.792e+02 3.620 -0.129
640. SiH2(2) + H7Si4(253) ⇔ HSi(10) + H8Si4(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.53
S298 (cal/mol*K) = -6.49
G298 (kcal/mol) = -1.60
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H7Si4(253), H8Si4(21); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_H;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H7Si4(253)=HSi(10)+H8Si4(21) 7.792e+02 3.620 -0.129
641. HSi(10) + H8Si4(21) ⇔ H9Si5(87) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -43.70
S298 (cal/mol*K) = -32.39
G298 (kcal/mol) = -34.05
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H9Si5(87); H8Si4(21), H9Si5(87); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 HSi(10)+H8Si4(21)=H9Si5(87) 3.720e+14 0.000 -0.454
642. HSi(10) + H8Si4(21) ⇔ H9Si5(86) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -43.14
S298 (cal/mol*K) = -29.97
G298 (kcal/mol) = -34.21
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H9Si5(86); H8Si4(21), H9Si5(86); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 HSi(10)+H8Si4(21)=H9Si5(86) 5.580e+14 0.000 -0.454
643. HSi(10) + H8Si4(21) ⇔ H9Si5(265) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -46.96
S298 (cal/mol*K) = -31.28
G298 (kcal/mol) = -37.64
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H9Si5(265); H8Si4(21), H9Si5(265); ! Exact match found for rate rule (Si2S;Si_H) HSi(10)+H8Si4(21)=H9Si5(265) 1.860e+14 0.000 -0.454
644. HSi(10) + H8Si4(21) ⇔ H9Si5(88) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -45.84
S298 (cal/mol*K) = -30.05
G298 (kcal/mol) = -36.88
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H9Si5(88); H8Si4(21), H9Si5(88); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 HSi(10)+H8Si4(21)=H9Si5(88) 3.720e+14 0.000 -0.454
645. SiH3SiH(5) + H7Si4(56) ⇔ H3Si2(12) + H8Si4(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -11.65
S298 (cal/mol*K) = -0.84
G298 (kcal/mol) = -11.40
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H7Si4(56), H8Si4(21); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H7Si4(56)=H3Si2(12)+H8Si4(21) 1.753e+03 3.620 -0.129
646. SiH3SiH(5) + H7Si4(55) ⇔ H3Si2(12) + H8Si4(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -0.92
G298 (kcal/mol) = -14.08
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H7Si4(55), H8Si4(21); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H7Si4(55)=H3Si2(12)+H8Si4(21) 1.753e+03 3.620 -0.129
647. SiH3SiH(5) + H7Si4(252) ⇔ H3Si2(12) + H8Si4(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -6.63
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H7Si4(252), H8Si4(21); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H7Si4(252)=H3Si2(12)+H8Si4(21) 1.753e+03 3.620 -0.129
648. SiH3SiH(5) + H7Si4(253) ⇔ H3Si2(12) + H8Si4(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.69
S298 (cal/mol*K) = -3.57
G298 (kcal/mol) = -6.63
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H7Si4(253), H8Si4(21); ! Estimated using template (Si_H;Si_rad) for rate rule (Sis_Si_H3;Sid_rad_Si_H) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H7Si4(253)=H3Si2(12)+H8Si4(21) 1.753e+03 3.620 -0.129
649. H3Si2(12) + H8Si4(21) ⇔ S(105) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -39.56
S298 (cal/mol*K) = -40.03
G298 (kcal/mol) = -27.63
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(105); H8Si4(21), S(105); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H3Si2(12)+H8Si4(21)=S(105) 1.200e+10 0.000 -9.100
650. H3Si2(12) + H8Si4(21) ⇔ S(107) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -39.00
S298 (cal/mol*K) = -37.62
G298 (kcal/mol) = -27.79
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(107); H8Si4(21), S(107); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H3Si2(12)+H8Si4(21)=S(107) 1.800e+10 0.000 -9.100
651. H3Si2(12) + H8Si4(21) ⇔ S(266) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+5.8+5.1+4.8
Arrhenius(A=(6000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H)""")
H298 (kcal/mol) = -42.10
S298 (cal/mol*K) = -39.16
G298 (kcal/mol) = -30.43
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(266); H8Si4(21), S(266); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) H3Si2(12)+H8Si4(21)=S(266) 6.000e+09 0.000 -9.100
652. H3Si2(12) + H8Si4(21) ⇔ S(267) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -40.19
S298 (cal/mol*K) = -39.78
G298 (kcal/mol) = -28.33
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(267); H8Si4(21), S(267); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) ! Multiplied by reaction path degeneracy 2 H3Si2(12)+H8Si4(21)=S(267) 1.200e+10 0.000 -9.100
653. H(9) + H7Si3(31) ⇔ H2(3) + H6Si3(64) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.6+9.8+10.0+10.2
Arrhenius(A=(1.1295e+10,'cm^3/(mol*s)'), n=1.82, Ea=(-6.14,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;H_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.76
S298 (cal/mol*K) = 4.05
G298 (kcal/mol) = -15.97
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), H6Si3(64); H(9), H2(3); ! Exact match found for rate rule (Sis_Si_H3;H_rad) ! Multiplied by reaction path degeneracy 9 H(9)+H7Si3(31)=H2(3)+H6Si3(64) 1.130e+10 1.820 -1.467
654. H(9) + H7Si3(31) ⇔ H2(3) + H6Si3(92) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.0+8.2+8.5+8.6
Arrhenius(A=(8.49e+08,'cm^3/(mol*s)'), n=1.69, Ea=(-4.42,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sirad_Si_H2;H_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -18.11
S298 (cal/mol*K) = 4.78
G298 (kcal/mol) = -19.54
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), H6Si3(92); H(9), H2(3); ! Exact match found for rate rule (Sirad_Si_H2;H_rad) ! Multiplied by reaction path degeneracy 2 H(9)+H7Si3(31)=H2(3)+H6Si3(92) 8.490e+08 1.690 -1.056
655. H8Si4(21) + H7Si3(31) ⇔ H7Si4(56) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), Si3H8(6); H8Si4(21), H7Si4(56); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H8Si4(21)+H7Si3(31)=H7Si4(56)+Si3H8(6) 7.792e+02 3.620 -0.129
656. H7Si4(55) + Si3H8(6) ⇔ H8Si4(21) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: Si3H8(6), H7Si3(31); H7Si4(55), H8Si4(21); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 H7Si4(55)+Si3H8(6)=H8Si4(21)+H7Si3(31) 3.507e+03 3.620 -0.129
657. H8Si4(21) + H7Si3(31) ⇔ Si3H8(6) + H7Si4(252) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), Si3H8(6); H8Si4(21), H7Si4(252); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H8Si4(21)+H7Si3(31)=Si3H8(6)+H7Si4(252) 1.948e+02 3.620 -0.129
658. H8Si4(21) + H7Si3(31) ⇔ Si3H8(6) + H7Si4(253) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), Si3H8(6); H8Si4(21), H7Si4(253); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H8Si4(21)+H7Si3(31)=Si3H8(6)+H7Si4(253) 7.792e+02 3.620 -0.129
659. H(9) + H9Si4(42) ⇔ H2(3) + H8Si4(78) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+8.9+9.2
Arrhenius(A=(251.363,'m^3/(mol*s)'), n=2.07, Ea=(1.685,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;H_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -17.46
S298 (cal/mol*K) = 5.35
G298 (kcal/mol) = -19.05
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(78); H(9), H2(3); ! Estimated using an average for rate rule (Sis_H;H_rad) ! Multiplied by reaction path degeneracy 4 H(9)+H9Si4(42)=H2(3)+H8Si4(78) 2.514e+08 2.070 0.403
660. H(9) + H9Si4(42) ⇔ H2(3) + H8Si4(77) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.6+9.8+10.0+10.2
Arrhenius(A=(1.1295e+10,'cm^3/(mol*s)'), n=1.82, Ea=(-6.14,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;H_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.76
S298 (cal/mol*K) = 4.05
G298 (kcal/mol) = -15.97
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(77); H(9), H2(3); ! Exact match found for rate rule (Sis_Si_H3;H_rad) ! Multiplied by reaction path degeneracy 9 H(9)+H9Si4(42)=H2(3)+H8Si4(77) 1.130e+10 1.820 -1.467
661. H(9) + H9Si4(42) ⇔ H2(3) + H8Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.0+8.2+8.5+8.6
Arrhenius(A=(8.49e+08,'cm^3/(mol*s)'), n=1.69, Ea=(-4.42,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sirad_Si_H2;H_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -18.11
S298 (cal/mol*K) = 4.78
G298 (kcal/mol) = -19.54
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(115); H(9), H2(3); ! Exact match found for rate rule (Sirad_Si_H2;H_rad) ! Multiplied by reaction path degeneracy 2 H(9)+H9Si4(42)=H2(3)+H8Si4(115) 8.490e+08 1.690 -1.056
662. H8Si4(21) + H9Si4(42) ⇔ H7Si4(56) + H10Si4(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H10Si4(16); H8Si4(21), H7Si4(56); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H8Si4(21)+H9Si4(42)=H7Si4(56)+H10Si4(16) 7.792e+02 3.620 -0.129
663. H7Si4(55) + H10Si4(16) ⇔ H8Si4(21) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H10Si4(16), H9Si4(42); H7Si4(55), H8Si4(21); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H7Si4(55)+H10Si4(16)=H8Si4(21)+H9Si4(42) 3.507e+03 3.620 0.000
664. H8Si4(21) + H9Si4(42) ⇔ H10Si4(16) + H7Si4(252) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H10Si4(16); H8Si4(21), H7Si4(252); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H8Si4(21)+H9Si4(42)=H10Si4(16)+H7Si4(252) 1.948e+02 3.620 -0.129
665. H8Si4(21) + H9Si4(42) ⇔ H10Si4(16) + H7Si4(253) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H10Si4(16); H8Si4(21), H7Si4(253); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H8Si4(21)+H9Si4(42)=H10Si4(16)+H7Si4(253) 7.792e+02 3.620 -0.129
666. H4Si2(53) + H(9) ⇔ H2(3) + H3Si2(116) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.3+8.5+8.8+8.9
Arrhenius(A=(1.698e+09,'cm^3/(mol*s)'), n=1.69, Ea=(-4.42,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sirad_Si_H2;H_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -18.11
S298 (cal/mol*K) = 6.16
G298 (kcal/mol) = -19.95
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H3Si2(116); H(9), H2(3); ! Exact match found for rate rule (Sirad_Si_H2;H_rad) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H(9)=H2(3)+H3Si2(116) 1.698e+09 1.690 -1.056
667. H4Si2(53) + H8Si4(21) ⇔ H7Si4(56) + H5Si2(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 1.30
G298 (kcal/mol) = -3.09
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H5Si2(11); H8Si4(21), H7Si4(56); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si2(53)+H8Si4(21)=H7Si4(56)+H5Si2(11) 1.558e+03 3.620 -0.129
668. H4Si2(53) + H8Si4(21) ⇔ H7Si4(55) + H5Si2(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H5Si2(11); H8Si4(21), H7Si4(55); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si2(53)+H8Si4(21)=H7Si4(55)+H5Si2(11) 3.507e+03 3.620 0.001
669. H4Si2(53) + H8Si4(21) ⇔ H5Si2(11) + H7Si4(252) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.4+7.5+8.1+8.6
Arrhenius(A=(0.000389615,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H5Si2(11); H8Si4(21), H7Si4(252); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H4Si2(53)+H8Si4(21)=H5Si2(11)+H7Si4(252) 3.896e+02 3.620 -0.129
670. H4Si2(53) + H8Si4(21) ⇔ H5Si2(11) + H7Si4(253) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 4.03
G298 (kcal/mol) = -7.86
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H5Si2(11); H8Si4(21), H7Si4(253); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si2(53)+H8Si4(21)=H5Si2(11)+H7Si4(253) 1.558e+03 3.620 -0.129
671. H(9) + H10Si4(34) ⇔ H2(3) + H9Si4(59) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.1+10.3+10.5+10.7
Arrhenius(A=(3.3885e+10,'cm^3/(mol*s)'), n=1.82, Ea=(-6.14,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;H_rad) Multiplied by reaction path degeneracy 27""")
H298 (kcal/mol) = -14.76
S298 (cal/mol*K) = 7.61
G298 (kcal/mol) = -17.03
! Template reaction: H_Abstraction ! Flux pairs: H10Si4(34), H9Si4(59); H(9), H2(3); ! Exact match found for rate rule (Sis_Si_H3;H_rad) ! Multiplied by reaction path degeneracy 27 H(9)+H10Si4(34)=H2(3)+H9Si4(59) 3.389e+10 1.820 -1.467
672. H(9) + H10Si4(34) ⇔ H2(3) + H9Si4(126) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.9+8.3+8.6
Arrhenius(A=(62.8406,'m^3/(mol*s)'), n=2.07, Ea=(1.685,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;H_rad)""")
H298 (kcal/mol) = -11.78
S298 (cal/mol*K) = 2.64
G298 (kcal/mol) = -12.57
! Template reaction: H_Abstraction ! Flux pairs: H10Si4(34), H9Si4(126); H(9), H2(3); ! Estimated using an average for rate rule (Sis_H;H_rad) H(9)+H10Si4(34)=H2(3)+H9Si4(126) 6.284e+07 2.070 0.403
673. H8Si4(21) + H2Si2(66) ⇔ S(226) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -28.33
S298 (cal/mol*K) = -32.66
G298 (kcal/mol) = -18.60
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), S(226); H8Si4(21), S(226); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H8Si4(21)+H2Si2(66)=S(226) 3.720e+14 0.000 -0.454
674. H8Si4(21) + H2Si2(66) ⇔ S(227) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -27.77
S298 (cal/mol*K) = -30.25
G298 (kcal/mol) = -18.76
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), S(227); H8Si4(21), S(227); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H8Si4(21)+H2Si2(66)=S(227) 5.580e+14 0.000 -0.454
675. H8Si4(21) + H2Si2(66) ⇔ S(228) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -30.87
S298 (cal/mol*K) = -31.79
G298 (kcal/mol) = -21.40
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), S(228); H8Si4(21), S(228); ! Exact match found for rate rule (Si2S;Si_H) H8Si4(21)+H2Si2(66)=S(228) 1.860e+14 0.000 -0.454
676. H8Si4(21) + H2Si2(66) ⇔ S(229) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -30.47
S298 (cal/mol*K) = -30.33
G298 (kcal/mol) = -21.43
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), S(229); H8Si4(21), S(229); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H8Si4(21)+H2Si2(66)=S(229) 3.720e+14 0.000 -0.454
677. H(9) + H6Si3(20) ⇔ H2(3) + H5Si3(48) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.6+9.8+10.0+10.2
Arrhenius(A=(1.1295e+10,'cm^3/(mol*s)'), n=1.82, Ea=(-6.14,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;H_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.76
S298 (cal/mol*K) = 5.43
G298 (kcal/mol) = -16.38
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(20), H5Si3(48); H(9), H2(3); ! Exact match found for rate rule (Sis_Si_H3;H_rad) ! Multiplied by reaction path degeneracy 9 H(9)+H6Si3(20)=H2(3)+H5Si3(48) 1.130e+10 1.820 -1.467
678. H(9) + H6Si3(20) ⇔ H2(3) + H5Si3(129) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.7+7.9+8.1
Arrhenius(A=(198.75,'m^3/(mol*s)'), n=1.76, Ea=(-1.42,'kJ/mol'), T0=(1,'K'), comment="""Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad)""")
H298 (kcal/mol) = -21.42
S298 (cal/mol*K) = 8.09
G298 (kcal/mol) = -23.83
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(20), H5Si3(129); H(9), H2(3); ! Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad) H(9)+H6Si3(20)=H2(3)+H5Si3(129) 1.988e+08 1.760 -0.339
679. H(9) + H6Si3(20) ⇔ H2(3) + H5Si3(130) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.3+8.5+8.7
Arrhenius(A=(7.95e+08,'cm^3/(mol*s)'), n=1.76, Ea=(-1.42,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sid_Si_H2;H_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -21.42
S298 (cal/mol*K) = 8.09
G298 (kcal/mol) = -23.83
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(20), H5Si3(130); H(9), H2(3); ! Exact match found for rate rule (Sid_Si_H2;H_rad) ! Multiplied by reaction path degeneracy 4 H(9)+H6Si3(20)=H2(3)+H5Si3(130) 7.950e+08 1.760 -0.339
680. H6Si3(65) + H(9) ⇔ H2(3) + H5Si3(119) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.6+9.8+10.0+10.2
Arrhenius(A=(1.1295e+10,'cm^3/(mol*s)'), n=1.82, Ea=(-6.14,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;H_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.76
S298 (cal/mol*K) = 4.05
G298 (kcal/mol) = -15.97
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H5Si3(119); H(9), H2(3); ! Exact match found for rate rule (Sis_Si_H3;H_rad) ! Multiplied by reaction path degeneracy 9 H6Si3(65)+H(9)=H2(3)+H5Si3(119) 1.130e+10 1.820 -1.467
681. H6Si3(65) + H(9) ⇔ H2(3) + H5Si3(201) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.7+7.9+8.1+8.3
Arrhenius(A=(424.5,'m^3/(mol*s)'), n=1.69, Ea=(-4.42,'kJ/mol'), T0=(1,'K'), comment="""Sirad_Si_H2;H_radExact match found for rate rule (Sirad_H;H_rad)""")
H298 (kcal/mol) = -21.49
S298 (cal/mol*K) = 4.78
G298 (kcal/mol) = -22.91
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H5Si3(201); H(9), H2(3); ! Sirad_Si_H2;H_radExact match found for rate rule (Sirad_H;H_rad) H6Si3(65)+H(9)=H2(3)+H5Si3(201) 4.245e+08 1.690 -1.056
682. H6Si3(65) + H(9) ⇔ H2(3) + H5Si3(202) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.0+8.2+8.5+8.6
Arrhenius(A=(8.49e+08,'cm^3/(mol*s)'), n=1.69, Ea=(-4.42,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sirad_Si_H2;H_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -18.11
S298 (cal/mol*K) = 4.78
G298 (kcal/mol) = -19.54
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H5Si3(202); H(9), H2(3); ! Exact match found for rate rule (Sirad_Si_H2;H_rad) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H(9)=H2(3)+H5Si3(202) 8.490e+08 1.690 -1.056
684. H7Si4(56) + H7Si3(31) ⇔ H6Si3(65) + H8Si4(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), H6Si3(65); H7Si4(56), H8Si4(21); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H7Si4(56)+H7Si3(31)=H6Si3(65)+H8Si4(21) 7.792e+02 3.620 -0.129
685. H7Si4(55) + H7Si3(31) ⇔ H6Si3(65) + H8Si4(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), H6Si3(65); H7Si4(55), H8Si4(21); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si4(55)+H7Si3(31)=H6Si3(65)+H8Si4(21) 7.792e+02 3.620 -0.129
686. H6Si3(65) + H8Si4(21) ⇔ H7Si3(31) + H7Si4(252) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad)""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H7Si3(31); H8Si4(21), H7Si4(252); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) H6Si3(65)+H8Si4(21)=H7Si3(31)+H7Si4(252) 1.948e+02 3.620 -0.129
687. H6Si3(65) + H8Si4(21) ⇔ H7Si3(31) + H7Si4(253) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H7Si3(31); H8Si4(21), H7Si4(253); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(65)+H8Si4(21)=H7Si3(31)+H7Si4(253) 7.792e+02 3.620 -0.129
688. H6Si3(65) + H8Si4(21) ⇔ H7Si4(56) + H7Si3(32) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H7Si3(32); H8Si4(21), H7Si4(56); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(65)+H8Si4(21)=H7Si4(56)+H7Si3(32) 7.792e+02 3.620 -0.129
689. H7Si4(55) + H7Si3(32) ⇔ H6Si3(65) + H8Si4(21) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(32), H6Si3(65); H7Si4(55), H8Si4(21); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H7Si4(55)+H7Si3(32)=H6Si3(65)+H8Si4(21) 3.507e+03 3.620 0.000
690. H6Si3(65) + H8Si4(21) ⇔ H7Si3(32) + H7Si4(252) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H7Si3(32); H8Si4(21), H7Si4(252); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H6Si3(65)+H8Si4(21)=H7Si3(32)+H7Si4(252) 1.948e+02 3.620 -0.129
691. H6Si3(65) + H8Si4(21) ⇔ H7Si3(32) + H7Si4(253) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 1.28
G298 (kcal/mol) = -7.04
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H7Si3(32); H8Si4(21), H7Si4(253); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(65)+H8Si4(21)=H7Si3(32)+H7Si4(253) 7.792e+02 3.620 -0.129
692. H(9) + H8Si4(94) ⇔ H2(3) + H7Si4(157) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+8.9+9.2
Arrhenius(A=(251.363,'m^3/(mol*s)'), n=2.07, Ea=(1.685,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;H_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -17.46
S298 (cal/mol*K) = 5.35
G298 (kcal/mol) = -19.05
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H7Si4(157); H(9), H2(3); ! Estimated using an average for rate rule (Sis_H;H_rad) ! Multiplied by reaction path degeneracy 4 H(9)+H8Si4(94)=H2(3)+H7Si4(157) 2.514e+08 2.070 0.403
693. H(9) + H8Si4(94) ⇔ H2(3) + H7Si4(125) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.6+9.8+10.0+10.2
Arrhenius(A=(1.1295e+10,'cm^3/(mol*s)'), n=1.82, Ea=(-6.14,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;H_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.76
S298 (cal/mol*K) = 5.43
G298 (kcal/mol) = -16.38
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H7Si4(125); H(9), H2(3); ! Exact match found for rate rule (Sis_Si_H3;H_rad) ! Multiplied by reaction path degeneracy 9 H(9)+H8Si4(94)=H2(3)+H7Si4(125) 1.130e+10 1.820 -1.467
694. H(9) + H8Si4(94) ⇔ H2(3) + H7Si4(234) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.7+7.9+8.1+8.3
Arrhenius(A=(424.5,'m^3/(mol*s)'), n=1.69, Ea=(-4.42,'kJ/mol'), T0=(1,'K'), comment="""Sirad_Si_H2;H_radExact match found for rate rule (Sirad_H;H_rad)""")
H298 (kcal/mol) = -21.49
S298 (cal/mol*K) = 4.78
G298 (kcal/mol) = -22.91
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H7Si4(234); H(9), H2(3); ! Sirad_Si_H2;H_radExact match found for rate rule (Sirad_H;H_rad) H(9)+H8Si4(94)=H2(3)+H7Si4(234) 4.245e+08 1.690 -1.056
695. H(9) + H8Si4(94) ⇔ H2(3) + H7Si4(235) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.0+8.2+8.5+8.6
Arrhenius(A=(8.49e+08,'cm^3/(mol*s)'), n=1.69, Ea=(-4.42,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sirad_Si_H2;H_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -18.11
S298 (cal/mol*K) = 4.78
G298 (kcal/mol) = -19.54
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H7Si4(235); H(9), H2(3); ! Exact match found for rate rule (Sirad_Si_H2;H_rad) ! Multiplied by reaction path degeneracy 2 H(9)+H8Si4(94)=H2(3)+H7Si4(235) 8.490e+08 1.690 -1.056
697. H7Si4(56) + H9Si4(42) ⇔ H8Si4(21) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(94); H7Si4(56), H8Si4(21); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H7Si4(56)+H9Si4(42)=H8Si4(21)+H8Si4(94) 7.792e+02 3.620 -0.129
698. H7Si4(55) + H9Si4(42) ⇔ H8Si4(21) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(94); H7Si4(55), H8Si4(21); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si4(55)+H9Si4(42)=H8Si4(21)+H8Si4(94) 7.792e+02 3.620 -0.129
699. H8Si4(21) + H8Si4(94) ⇔ H9Si4(42) + H7Si4(252) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad)""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H9Si4(42); H8Si4(21), H7Si4(252); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) H8Si4(21)+H8Si4(94)=H9Si4(42)+H7Si4(252) 1.948e+02 3.620 -0.129
700. H8Si4(21) + H8Si4(94) ⇔ H9Si4(42) + H7Si4(253) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H9Si4(42); H8Si4(21), H7Si4(253); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(21)+H8Si4(94)=H9Si4(42)+H7Si4(253) 7.792e+02 3.620 -0.129
701. H8Si4(21) + H8Si4(94) ⇔ H7Si4(56) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H9Si4(41); H8Si4(21), H7Si4(56); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H8Si4(21)+H8Si4(94)=H7Si4(56)+H9Si4(41) 7.792e+02 3.620 -0.129
702. H7Si4(55) + H9Si4(41) ⇔ H8Si4(21) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = 0.00
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(41), H8Si4(94); H7Si4(55), H8Si4(21); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H7Si4(55)+H9Si4(41)=H8Si4(21)+H8Si4(94) 1.753e+03 3.620 -0.129
703. H8Si4(21) + H8Si4(94) ⇔ H9Si4(41) + H7Si4(252) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H9Si4(41); H8Si4(21), H7Si4(252); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad_Si_H2) H8Si4(21)+H8Si4(94)=H9Si4(41)+H7Si4(252) 1.948e+02 3.620 -0.129
704. H8Si4(21) + H8Si4(94) ⇔ H9Si4(41) + H7Si4(253) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -6.66
S298 (cal/mol*K) = 2.65
G298 (kcal/mol) = -7.45
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H9Si4(41); H8Si4(21), H7Si4(253); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H8Si4(21)+H8Si4(94)=H9Si4(41)+H7Si4(253) 7.792e+02 3.620 -0.129
705. H(9) + H8Si4(21) ⇔ H2(3) + H7Si4(56) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+8.9+9.2
Arrhenius(A=(251.363,'m^3/(mol*s)'), n=2.07, Ea=(1.685,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;H_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -17.46
S298 (cal/mol*K) = 5.35
G298 (kcal/mol) = -19.05
! Template reaction: H_Abstraction ! Flux pairs: H(9), H2(3); H8Si4(21), H7Si4(56); ! Estimated using an average for rate rule (Sis_H;H_rad) ! Multiplied by reaction path degeneracy 4 H(9)+H8Si4(21)=H2(3)+H7Si4(56) 2.514e+08 2.070 0.403
706. H(9) + H8Si4(21) ⇔ H2(3) + H7Si4(55) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.6+9.8+10.0+10.2
Arrhenius(A=(1.1295e+10,'cm^3/(mol*s)'), n=1.82, Ea=(-6.14,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;H_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.76
S298 (cal/mol*K) = 5.43
G298 (kcal/mol) = -16.38
! Template reaction: H_Abstraction ! Flux pairs: H(9), H2(3); H8Si4(21), H7Si4(55); ! Exact match found for rate rule (Sis_Si_H3;H_rad) ! Multiplied by reaction path degeneracy 9 H(9)+H8Si4(21)=H2(3)+H7Si4(55) 1.130e+10 1.820 -1.467
707. H(9) + H8Si4(21) ⇔ H2(3) + H7Si4(252) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.7+7.9+8.1
Arrhenius(A=(198.75,'m^3/(mol*s)'), n=1.76, Ea=(-1.42,'kJ/mol'), T0=(1,'K'), comment="""Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad)""")
H298 (kcal/mol) = -21.42
S298 (cal/mol*K) = 8.09
G298 (kcal/mol) = -23.83
! Template reaction: H_Abstraction ! Flux pairs: H(9), H2(3); H8Si4(21), H7Si4(252); ! Sid_Si_H2;H_radExact match found for rate rule (Sid_H;H_rad) H(9)+H8Si4(21)=H2(3)+H7Si4(252) 1.988e+08 1.760 -0.339
708. H(9) + H8Si4(21) ⇔ H2(3) + H7Si4(253) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.3+8.5+8.7
Arrhenius(A=(7.95e+08,'cm^3/(mol*s)'), n=1.76, Ea=(-1.42,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sid_Si_H2;H_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -21.42
S298 (cal/mol*K) = 8.09
G298 (kcal/mol) = -23.83
! Template reaction: H_Abstraction ! Flux pairs: H(9), H2(3); H8Si4(21), H7Si4(253); ! Exact match found for rate rule (Sid_Si_H2;H_rad) ! Multiplied by reaction path degeneracy 4 H(9)+H8Si4(21)=H2(3)+H7Si4(253) 7.950e+08 1.760 -0.339
709. H2(3) + H5Si3(68) ⇔ H7Si3(32) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.5+6.7+6.8+6.8
Arrhenius(A=(7.6e+12,'cm^3/(mol*s)'), n=0, Ea=(3.3472,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -44.84
S298 (cal/mol*K) = -31.55
G298 (kcal/mol) = -35.43
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H7Si3(32); H5Si3(68), H7Si3(32); ! Exact match found for rate rule (Si-Si-H;H_H) ! Multiplied by reaction path degeneracy 2 H2(3)+H5Si3(68)=H7Si3(32) 7.600e+12 0.000 0.800
712. SiH2(2) + H7Si3(32) ⇔ H9Si4(126) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+7.4+6.7+6.4
Arrhenius(A=(231291,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H)""")
H298 (kcal/mol) = -49.15
S298 (cal/mol*K) = -39.78
G298 (kcal/mol) = -37.29
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H9Si4(126); H7Si3(32), H9Si4(126); ! Estimated using an average for rate rule (SiH2;Si_H) SiH2(2)+H7Si3(32)=H9Si4(126) 2.313e+11 0.000 -9.392
713. SiH3SiH(5) + H7Si3(32) ⇔ S(102) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+6.5+5.9+5.6
Arrhenius(A=(36000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -53.35
S298 (cal/mol*K) = -37.16
G298 (kcal/mol) = -42.27
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(102); H7Si3(32), S(102); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 6 SiH3SiH(5)+H7Si3(32)=S(102) 3.600e+10 0.000 -9.100
714. SiH3SiH(5) + H7Si3(32) ⇔ S(268) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+5.8+5.1+4.8
Arrhenius(A=(6000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H)""")
H298 (kcal/mol) = -49.16
S298 (cal/mol*K) = -42.32
G298 (kcal/mol) = -36.55
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(268); H7Si3(32), S(268); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) SiH3SiH(5)+H7Si3(32)=S(268) 6.000e+09 0.000 -9.100
715. H4Si2(7) + H7Si3(32) ⇔ Si3H8(6) + H3Si2(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 4.11
G298 (kcal/mol) = -5.19
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(18); H7Si3(32), Si3H8(6); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H7Si3(32)=Si3H8(6)+H3Si2(18) 1.558e+03 3.620 -0.129
716. H2Si2(19) + H7Si3(32) ⇔ Si3H8(6) + HSi2(22) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 4.11
G298 (kcal/mol) = -5.19
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(19), HSi2(22); H7Si3(32), Si3H8(6); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H2Si2(19)+H7Si3(32)=Si3H8(6)+HSi2(22) 7.792e+02 3.620 -0.129
717. H2Si2(19) + H7Si3(32) ⇔ H9Si5(269) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.1+9.1+9.1
Arrhenius(A=(1.116e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -49.30
G298 (kcal/mol) = -20.30
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H9Si5(269); H7Si3(32), H9Si5(269); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 6 H2Si2(19)+H7Si3(32)=H9Si5(269) 1.116e+15 0.000 -0.454
718. H2Si2(19) + H7Si3(32) ⇔ H9Si5(270) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -38.74
S298 (cal/mol*K) = -52.21
G298 (kcal/mol) = -23.18
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), H9Si5(270); H7Si3(32), H9Si5(270); ! Exact match found for rate rule (Si2S;Si_H) H2Si2(19)+H7Si3(32)=H9Si5(270) 1.860e+14 0.000 -0.454
720. Si3H8(6) + H2Si(52) ⇔ H3Si(8) + H7Si3(32) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4311,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -4.35
S298 (cal/mol*K) = 1.96
G298 (kcal/mol) = -4.93
! Template reaction: H_Abstraction ! Flux pairs: H2Si(52), H3Si(8); Si3H8(6), H7Si3(32); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) ! Multiplied by reaction path degeneracy 4 Si3H8(6)+H2Si(52)=H3Si(8)+H7Si3(32) 1.488e+08 1.617 6.556
721. H3Si(8) + H7Si3(32) ⇔ SiH4(1) + H6Si3(273) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Si_silyl)""")
H298 (kcal/mol) = -9.71
S298 (cal/mol*K) = -1.99
G298 (kcal/mol) = -9.12
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H7Si3(32), H6Si3(273); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Si_silyl) H3Si(8)+H7Si3(32)=SiH4(1)+H6Si3(273) 3.153e+09 1.172 4.009
722. H5Si2(11) + H7Si3(32) ⇔ H4Si2(62) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -0.48
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), H4Si2(62); H7Si3(32), Si3H8(6); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H5Si2(11)+H7Si3(32)=H4Si2(62)+Si3H8(6) 6.305e+09 1.172 4.009
723. H5Si2(11) + H7Si3(32) ⇔ Si2H6(4) + H6Si3(273) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -6.12
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), Si2H6(4); H7Si3(32), H6Si3(273); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H5Si2(11)+H7Si3(32)=Si2H6(4)+H6Si3(273) 3.153e+09 1.172 4.009
724. H5Si2(11) + H7Si3(32) ⇔ H12Si5(36) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -70.37
S298 (cal/mol*K) = -39.55
G298 (kcal/mol) = -58.59
! Template reaction: R_Recombination ! Flux pairs: H5Si2(11), H12Si5(36); H7Si3(32), H12Si5(36); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H5Si2(11)+H7Si3(32)=H12Si5(36) 7.206e+12 0.101 -0.195
725. SiH2(2) + H6Si3(273) ⇔ HSi(10) + H7Si3(32) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4541,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.47
S298 (cal/mol*K) = -3.19
G298 (kcal/mol) = -2.51
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H6Si3(273), H7Si3(32); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H6Si3(273)=HSi(10)+H7Si3(32) 1.488e+08 1.617 6.562
726. HSi(10) + H7Si3(32) ⇔ H8Si4(78) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.1+9.1+9.1
Arrhenius(A=(1.116e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -43.14
S298 (cal/mol*K) = -28.60
G298 (kcal/mol) = -34.62
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H8Si4(78); H7Si3(32), H8Si4(78); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 6 HSi(10)+H7Si3(32)=H8Si4(78) 1.116e+15 0.000 -0.454
727. HSi(10) + H7Si3(32) ⇔ H8Si4(194) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -38.95
S298 (cal/mol*K) = -33.76
G298 (kcal/mol) = -28.89
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H8Si4(194); H7Si3(32), H8Si4(194); ! Exact match found for rate rule (Si2S;Si_H) HSi(10)+H7Si3(32)=H8Si4(194) 1.860e+14 0.000 -0.454
728. SiH3SiH(5) + H6Si3(273) ⇔ H3Si2(12) + H7Si3(32) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+5.9+6.7+7.1
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.3453,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.62
S298 (cal/mol*K) = -0.27
G298 (kcal/mol) = -7.54
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H6Si3(273), H7Si3(32); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H6Si3(273)=H3Si2(12)+H7Si3(32) 3.349e+08 1.617 6.536
729. H3Si2(12) + H7Si3(32) ⇔ S(212) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+6.5+5.9+5.6
Arrhenius(A=(36000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -39.00
S298 (cal/mol*K) = -36.24
G298 (kcal/mol) = -28.20
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(212); H7Si3(32), S(212); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 6 H3Si2(12)+H7Si3(32)=S(212) 3.600e+10 0.000 -9.100
730. H3Si2(12) + H7Si3(32) ⇔ S(275) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+5.8+5.1+4.8
Arrhenius(A=(6000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H)""")
H298 (kcal/mol) = -34.81
S298 (cal/mol*K) = -41.40
G298 (kcal/mol) = -22.47
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(275); H7Si3(32), S(275); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) H3Si2(12)+H7Si3(32)=S(275) 6.000e+09 0.000 -9.100
731. H6Si3(64) + Si3H8(6) ⇔ H7Si3(31) + H7Si3(32) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 1.30
G298 (kcal/mol) = -3.09
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(64), H7Si3(31); Si3H8(6), H7Si3(32); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H6Si3(64)+Si3H8(6)=H7Si3(31)+H7Si3(32) 1.558e+03 3.620 -0.129
732. H7Si3(31) + H7Si3(32) ⇔ Si3H8(6) + H6Si3(92) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -0.48
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), H6Si3(92); H7Si3(32), Si3H8(6); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H7Si3(31)+H7Si3(32)=Si3H8(6)+H6Si3(92) 6.305e+09 1.172 4.009
733. H7Si3(31) + H7Si3(32) ⇔ Si3H8(6) + H6Si3(273) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -6.12
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), Si3H8(6); H7Si3(32), H6Si3(273); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H7Si3(31)+H7Si3(32)=Si3H8(6)+H6Si3(273) 3.153e+09 1.172 4.009
734. H7Si3(31) + H7Si3(32) ⇔ S(136) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -74.68
S298 (cal/mol*K) = -35.68
G298 (kcal/mol) = -64.04
! Template reaction: R_Recombination ! Flux pairs: H7Si3(31), S(136); H7Si3(32), S(136); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H7Si3(31)+H7Si3(32)=S(136) 7.206e+12 0.101 -0.195
735. H7Si3(32) + H9Si4(42) ⇔ Si3H8(6) + H8Si4(78) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(78); H7Si3(32), Si3H8(6); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H7Si3(32)+H9Si4(42)=Si3H8(6)+H8Si4(78) 7.792e+02 3.620 -0.129
736. Si3H8(6) + H8Si4(77) ⇔ H7Si3(32) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 1.30
G298 (kcal/mol) = -3.09
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(77), H9Si4(42); Si3H8(6), H7Si3(32); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 Si3H8(6)+H8Si4(77)=H7Si3(32)+H9Si4(42) 1.558e+03 3.620 -0.129
737. H7Si3(32) + H9Si4(42) ⇔ Si3H8(6) + H8Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -0.48
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(115); H7Si3(32), Si3H8(6); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H7Si3(32)+H9Si4(42)=Si3H8(6)+H8Si4(115) 6.305e+09 1.172 4.009
738. H7Si3(32) + H9Si4(42) ⇔ H10Si4(16) + H6Si3(273) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -6.12
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H10Si4(16); H7Si3(32), H6Si3(273); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H7Si3(32)+H9Si4(42)=H10Si4(16)+H6Si3(273) 3.153e+09 1.172 4.009
739. H4Si2(53) + H7Si3(32) ⇔ H3Si2(116) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.5+6.7+7.2+7.5
Arrhenius(A=(12610.8,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = 0.81
G298 (kcal/mol) = -0.89
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H3Si2(116); H7Si3(32), Si3H8(6); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H7Si3(32)=H3Si2(116)+Si3H8(6) 1.261e+10 1.172 4.009
740. H4Si2(53) + H7Si3(32) ⇔ H5Si2(11) + H6Si3(273) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = 0.73
G298 (kcal/mol) = -6.94
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H5Si2(11); H7Si3(32), H6Si3(273); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H4Si2(53)+H7Si3(32)=H5Si2(11)+H6Si3(273) 6.305e+09 1.172 4.009
741. H4Si2(53) + H7Si3(32) ⇔ H11Si5(73) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -70.37
S298 (cal/mol*K) = -38.17
G298 (kcal/mol) = -59.00
! Template reaction: R_Recombination ! Flux pairs: H4Si2(53), H11Si5(73); H7Si3(32), H11Si5(73); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) ! Multiplied by reaction path degeneracy 2 H4Si2(53)+H7Si3(32)=H11Si5(73) 1.441e+13 0.101 -0.195
742. H9Si4(59) + Si3H8(6) ⇔ H7Si3(32) + H10Si4(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -2.26
G298 (kcal/mol) = -2.02
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(59), H10Si4(34); Si3H8(6), H7Si3(32); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H9Si4(59)+Si3H8(6)=H7Si3(32)+H10Si4(34) 7.792e+02 3.620 -0.129
743. H9Si4(126) + Si3H8(6) ⇔ H7Si3(32) + H10Si4(34) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.68
S298 (cal/mol*K) = 2.72
G298 (kcal/mol) = -6.49
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(126), H10Si4(34); Si3H8(6), H7Si3(32); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 H9Si4(126)+Si3H8(6)=H7Si3(32)+H10Si4(34) 7.792e+02 3.620 -0.129
744. H7Si3(32) + H2Si2(66) ⇔ H9Si5(278) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.1+9.1+9.1
Arrhenius(A=(1.116e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -27.77
S298 (cal/mol*K) = -28.87
G298 (kcal/mol) = -19.17
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), H9Si5(278); H7Si3(32), H9Si5(278); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 6 H7Si3(32)+H2Si2(66)=H9Si5(278) 1.116e+15 0.000 -0.454
745. H7Si3(32) + H2Si2(66) ⇔ H9Si5(279) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -23.59
S298 (cal/mol*K) = -34.03
G298 (kcal/mol) = -13.44
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), H9Si5(279); H7Si3(32), H9Si5(279); ! Exact match found for rate rule (Si2S;Si_H) H7Si3(32)+H2Si2(66)=H9Si5(279) 1.860e+14 0.000 -0.454
746. Si3H8(6) + H5Si3(48) ⇔ H6Si3(20) + H7Si3(32) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(48), H6Si3(20); Si3H8(6), H7Si3(32); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 Si3H8(6)+H5Si3(48)=H6Si3(20)+H7Si3(32) 7.792e+02 3.620 -0.129
747. H6Si3(20) + H7Si3(32) ⇔ H5Si3(129) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad)""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(20), H5Si3(129); H7Si3(32), Si3H8(6); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) H6Si3(20)+H7Si3(32)=H5Si3(129)+Si3H8(6) 1.948e+02 3.620 -0.129
748. H6Si3(20) + H7Si3(32) ⇔ H5Si3(130) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(20), H5Si3(130); H7Si3(32), Si3H8(6); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(20)+H7Si3(32)=H5Si3(130)+Si3H8(6) 7.792e+02 3.620 -0.129
749. H5Si3(119) + Si3H8(6) ⇔ H6Si3(65) + H7Si3(32) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 1.30
G298 (kcal/mol) = -3.09
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(119), H6Si3(65); Si3H8(6), H7Si3(32); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H5Si3(119)+Si3H8(6)=H6Si3(65)+H7Si3(32) 1.558e+03 3.620 -0.129
750. H6Si3(65) + H7Si3(32) ⇔ Si3H8(6) + H5Si3(201) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -4.03
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -3.86
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H5Si3(201); H7Si3(32), Si3H8(6); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H6Si3(65)+H7Si3(32)=Si3H8(6)+H5Si3(201) 3.153e+09 1.172 4.009
751. H6Si3(65) + H7Si3(32) ⇔ Si3H8(6) + H5Si3(202) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -0.48
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H5Si3(202); H7Si3(32), Si3H8(6); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H7Si3(32)=Si3H8(6)+H5Si3(202) 6.305e+09 1.172 4.009
752. H6Si3(65) + H7Si3(32) ⇔ H7Si3(31) + H6Si3(273) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -4.03
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -3.86
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H7Si3(31); H7Si3(32), H6Si3(273); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H6Si3(65)+H7Si3(32)=H7Si3(31)+H6Si3(273) 3.153e+09 1.172 4.009
753. H6Si3(65) + H7Si3(32) ⇔ H7Si3(32) + H6Si3(273) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -6.12
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H7Si3(32); H7Si3(32), H6Si3(273); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H6Si3(65)+H7Si3(32)=H7Si3(32)+H6Si3(273) 3.153e+09 1.172 4.009
754. H6Si3(65) + H7Si3(32) ⇔ S(280) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -73.47
S298 (cal/mol*K) = -38.04
G298 (kcal/mol) = -62.13
! Template reaction: R_Recombination ! Flux pairs: H6Si3(65), S(280); H7Si3(32), S(280); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H6Si3(65)+H7Si3(32)=S(280) 7.206e+12 0.101 -0.195
755. H6Si3(65) + H7Si3(32) ⇔ S(281) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -74.68
S298 (cal/mol*K) = -35.68
G298 (kcal/mol) = -64.04
! Template reaction: R_Recombination ! Flux pairs: H6Si3(65), S(281); H7Si3(32), S(281); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H6Si3(65)+H7Si3(32)=S(281) 7.206e+12 0.101 -0.195
756. Si3H8(6) + H7Si4(157) ⇔ H7Si3(32) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(157), H8Si4(94); Si3H8(6), H7Si3(32); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 Si3H8(6)+H7Si4(157)=H7Si3(32)+H8Si4(94) 7.792e+02 3.620 -0.129
757. H7Si4(125) + Si3H8(6) ⇔ H7Si3(32) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(125), H8Si4(94); Si3H8(6), H7Si3(32); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si4(125)+Si3H8(6)=H7Si3(32)+H8Si4(94) 7.792e+02 3.620 -0.129
758. H7Si3(32) + H8Si4(94) ⇔ Si3H8(6) + H7Si4(234) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -4.03
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -3.86
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H7Si4(234); H7Si3(32), Si3H8(6); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H7Si3(32)+H8Si4(94)=Si3H8(6)+H7Si4(234) 3.153e+09 1.172 4.009
759. H7Si3(32) + H8Si4(94) ⇔ Si3H8(6) + H7Si4(235) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -0.48
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H7Si4(235); H7Si3(32), Si3H8(6); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H7Si3(32)+H8Si4(94)=Si3H8(6)+H7Si4(235) 6.305e+09 1.172 4.009
760. H7Si3(32) + H8Si4(94) ⇔ H9Si4(42) + H6Si3(273) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -4.03
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -3.86
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H9Si4(42); H7Si3(32), H6Si3(273); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H7Si3(32)+H8Si4(94)=H9Si4(42)+H6Si3(273) 3.153e+09 1.172 4.009
762. H7Si3(32) + H8Si4(94) ⇔ H9Si4(41) + H6Si3(273) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -6.53
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H9Si4(41); H7Si3(32), H6Si3(273); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H7Si3(32)+H8Si4(94)=H9Si4(41)+H6Si3(273) 3.153e+09 1.172 4.009
763. H(9) + H7Si3(32) ⇔ H2(3) + H6Si3(273) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.7+7.9+8.1+8.3
Arrhenius(A=(424.5,'m^3/(mol*s)'), n=1.69, Ea=(-4.42,'kJ/mol'), T0=(1,'K'), comment="""Sirad_Si_H2;H_radExact match found for rate rule (Sirad_H;H_rad)""")
H298 (kcal/mol) = -21.49
S298 (cal/mol*K) = 4.78
G298 (kcal/mol) = -22.91
! Template reaction: H_Abstraction ! Flux pairs: H(9), H2(3); H7Si3(32), H6Si3(273); ! Sirad_Si_H2;H_radExact match found for rate rule (Sirad_H;H_rad) H(9)+H7Si3(32)=H2(3)+H6Si3(273) 4.245e+08 1.690 -1.056
764. H8Si4(21) + H7Si3(32) ⇔ H7Si4(56) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.8
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 4 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = -0.00
G298 (kcal/mol) = -0.00
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(21), H7Si4(56); H7Si3(32), Si3H8(6); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 4 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H8Si4(21)+H7Si3(32)=H7Si4(56)+Si3H8(6) 7.792e+02 3.620 0.000
765. H7Si4(55) + Si3H8(6) ⇔ H8Si4(21) + H7Si3(32) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(55), H8Si4(21); Si3H8(6), H7Si3(32); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si4(55)+Si3H8(6)=H8Si4(21)+H7Si3(32) 7.792e+02 3.620 -0.129
766. H8Si4(21) + H7Si3(32) ⇔ Si3H8(6) + H7Si4(252) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad)""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(21), H7Si4(252); H7Si3(32), Si3H8(6); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) H8Si4(21)+H7Si3(32)=Si3H8(6)+H7Si4(252) 1.948e+02 3.620 -0.129
767. H8Si4(21) + H7Si3(32) ⇔ Si3H8(6) + H7Si4(253) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(21), H7Si4(253); H7Si3(32), Si3H8(6); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(21)+H7Si3(32)=Si3H8(6)+H7Si4(253) 7.792e+02 3.620 -0.129
768. H7Si3(32) + H7Si3(32) ⇔ Si3H8(6) + H6Si3(273) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -4.03
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -3.86
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(32), H6Si3(273); H7Si3(32), Si3H8(6); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H7Si3(32)+H7Si3(32)=Si3H8(6)+H6Si3(273) 3.153e+09 1.172 4.009
769. H7Si3(32) + H7Si3(32) ⇔ S(282) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -73.47
S298 (cal/mol*K) = -38.04
G298 (kcal/mol) = -62.13
! Template reaction: R_Recombination ! Flux pairs: H7Si3(32), S(282); H7Si3(32), S(282); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H7Si3(32)+H7Si3(32)=S(282) 7.206e+12 0.101 -0.195
771. H4Si2(7) + H3Si2(13) ⇔ H7Si4(56) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -40.91
S298 (cal/mol*K) = -33.85
G298 (kcal/mol) = -30.82
! Template reaction: Silylene_Insertion ! Flux pairs: H4Si2(7), H7Si4(56); H3Si2(13), H7Si4(56); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 4 H4Si2(7)+H3Si2(13)=H7Si4(56) 7.440e+14 0.000 -0.454
772. Si3H8(6) + H3Si2(13) ⇔ S(102) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.1+9.1+9.1
Arrhenius(A=(1.116e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -42.13
S298 (cal/mol*K) = -29.79
G298 (kcal/mol) = -33.25
! Template reaction: Silylene_Insertion ! Flux pairs: Si3H8(6), S(102); H3Si2(13), S(102); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 6 Si3H8(6)+H3Si2(13)=S(102) 1.116e+15 0.000 -0.454
773. Si3H8(6) + H3Si2(13) ⇔ S(285) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -43.62
S298 (cal/mol*K) = -32.23
G298 (kcal/mol) = -34.01
! Template reaction: Silylene_Insertion ! Flux pairs: Si3H8(6), S(285); H3Si2(13), S(285); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 Si3H8(6)+H3Si2(13)=S(285) 3.720e+14 0.000 -0.454
774. H3Si2(13) + H10Si4(16) ⇔ S(286) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -43.62
S298 (cal/mol*K) = -32.23
G298 (kcal/mol) = -34.01
! Template reaction: Silylene_Insertion ! Flux pairs: H10Si4(16), S(286); H3Si2(13), S(286); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 4 H3Si2(13)+H10Si4(16)=S(286) 7.440e+14 0.000 -0.454
775. H3Si2(13) + H10Si4(16) ⇔ S(211) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.1+9.1+9.1
Arrhenius(A=(1.116e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -42.13
S298 (cal/mol*K) = -29.79
G298 (kcal/mol) = -33.25
! Template reaction: Silylene_Insertion ! Flux pairs: H10Si4(16), S(211); H3Si2(13), S(211); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 6 H3Si2(13)+H10Si4(16)=S(211) 1.116e+15 0.000 -0.454
776. H5Si2(11) + H3Si2(13) ⇔ H8Si4(195) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -40.52
S298 (cal/mol*K) = -36.49
G298 (kcal/mol) = -29.64
! Template reaction: Silylene_Insertion ! Flux pairs: H5Si2(11), H8Si4(195); H3Si2(13), H8Si4(195); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H5Si2(11)+H3Si2(13)=H8Si4(195) 3.720e+14 0.000 -0.454
777. H3Si2(13) + H7Si3(31) ⇔ S(212) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -42.13
S298 (cal/mol*K) = -31.17
G298 (kcal/mol) = -32.84
! Template reaction: Silylene_Insertion ! Flux pairs: H7Si3(31), S(212); H3Si2(13), S(212); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H3Si2(13)+H7Si3(31)=S(212) 5.580e+14 0.000 -0.454
778. H3Si2(13) + H7Si3(31) ⇔ S(292) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -43.62
S298 (cal/mol*K) = -33.61
G298 (kcal/mol) = -33.60
! Template reaction: Silylene_Insertion ! Flux pairs: H7Si3(31), S(292); H3Si2(13), S(292); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H3Si2(13)+H7Si3(31)=S(292) 3.720e+14 0.000 -0.454
779. H3Si2(13) + H7Si3(31) ⇔ S(197) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -44.82
S298 (cal/mol*K) = -31.25
G298 (kcal/mol) = -35.51
! Template reaction: Silylene_Insertion ! Flux pairs: H7Si3(31), S(197); H3Si2(13), S(197); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H3Si2(13)+H7Si3(31)=S(197) 3.720e+14 0.000 -0.454
780. H3Si2(13) + H9Si4(42) ⇔ S(294) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -43.62
S298 (cal/mol*K) = -33.61
G298 (kcal/mol) = -33.60
! Template reaction: Silylene_Insertion ! Flux pairs: H9Si4(42), S(294); H3Si2(13), S(294); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H3Si2(13)+H9Si4(42)=S(294) 3.720e+14 0.000 -0.454
781. H3Si2(13) + H9Si4(42) ⇔ S(295) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -43.62
S298 (cal/mol*K) = -33.61
G298 (kcal/mol) = -33.60
! Template reaction: Silylene_Insertion ! Flux pairs: H9Si4(42), S(295); H3Si2(13), S(295); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H3Si2(13)+H9Si4(42)=S(295) 3.720e+14 0.000 -0.454
782. H3Si2(13) + H9Si4(42) ⇔ S(296) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -42.13
S298 (cal/mol*K) = -31.17
G298 (kcal/mol) = -32.84
! Template reaction: Silylene_Insertion ! Flux pairs: H9Si4(42), S(296); H3Si2(13), S(296); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H3Si2(13)+H9Si4(42)=S(296) 5.580e+14 0.000 -0.454
783. H3Si2(13) + H9Si4(42) ⇔ S(297) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -44.82
S298 (cal/mol*K) = -31.25
G298 (kcal/mol) = -35.51
! Template reaction: Silylene_Insertion ! Flux pairs: H9Si4(42), S(297); H3Si2(13), S(297); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H3Si2(13)+H9Si4(42)=S(297) 3.720e+14 0.000 -0.454
784. H3Si2(13) + H10Si4(34) ⇔ S(281) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.4+9.3+9.3+9.3
Arrhenius(A=(1.674e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -42.13
S298 (cal/mol*K) = -28.98
G298 (kcal/mol) = -33.49
! Template reaction: Silylene_Insertion ! Flux pairs: H10Si4(34), S(281); H3Si2(13), S(281); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 9 H3Si2(13)+H10Si4(34)=S(281) 1.674e+15 0.000 -0.454
785. H3Si2(13) + H10Si4(34) ⇔ S(298) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH_R3)""")
H298 (kcal/mol) = -44.58
S298 (cal/mol*K) = -35.48
G298 (kcal/mol) = -34.00
! Template reaction: Silylene_Insertion ! Flux pairs: H10Si4(34), S(298); H3Si2(13), S(298); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH_R3) H3Si2(13)+H10Si4(34)=S(298) 1.860e+14 0.000 -0.454
786. H3Si2(13) + H6Si3(20) ⇔ H9Si5(269) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -41.41
S298 (cal/mol*K) = -31.41
G298 (kcal/mol) = -32.05
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(20), H9Si5(269); H3Si2(13), H9Si5(269); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H3Si2(13)+H6Si3(20)=H9Si5(269) 5.580e+14 0.000 -0.454
787. H3Si2(13) + H6Si3(20) ⇔ H9Si5(303) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -45.23
S298 (cal/mol*K) = -32.71
G298 (kcal/mol) = -35.48
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(20), H9Si5(303); H3Si2(13), H9Si5(303); ! Exact match found for rate rule (Si2S;Si_H) H3Si2(13)+H6Si3(20)=H9Si5(303) 1.860e+14 0.000 -0.454
788. H3Si2(13) + H6Si3(20) ⇔ H9Si5(304) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -43.32
S298 (cal/mol*K) = -33.33
G298 (kcal/mol) = -33.38
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(20), H9Si5(304); H3Si2(13), H9Si5(304); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H3Si2(13)+H6Si3(20)=H9Si5(304) 3.720e+14 0.000 -0.454
789. H6Si3(65) + H3Si2(13) ⇔ H9Si5(278) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -42.13
S298 (cal/mol*K) = -31.17
G298 (kcal/mol) = -32.84
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(65), H9Si5(278); H3Si2(13), H9Si5(278); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H6Si3(65)+H3Si2(13)=H9Si5(278) 5.580e+14 0.000 -0.454
790. H6Si3(65) + H3Si2(13) ⇔ H9Si5(307) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -37.94
S298 (cal/mol*K) = -34.95
G298 (kcal/mol) = -27.52
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(65), H9Si5(307); H3Si2(13), H9Si5(307); ! Exact match found for rate rule (Si2S;Si_H) H6Si3(65)+H3Si2(13)=H9Si5(307) 1.860e+14 0.000 -0.454
791. H6Si3(65) + H3Si2(13) ⇔ H9Si5(308) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -44.82
S298 (cal/mol*K) = -32.62
G298 (kcal/mol) = -35.10
! Template reaction: Silylene_Insertion ! Flux pairs: H6Si3(65), H9Si5(308); H3Si2(13), H9Si5(308); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H3Si2(13)=H9Si5(308) 3.720e+14 0.000 -0.454
792. H3Si2(13) + H8Si4(94) ⇔ S(311) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -43.62
S298 (cal/mol*K) = -33.61
G298 (kcal/mol) = -33.60
! Template reaction: Silylene_Insertion ! Flux pairs: H8Si4(94), S(311); H3Si2(13), S(311); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H3Si2(13)+H8Si4(94)=S(311) 3.720e+14 0.000 -0.454
793. H3Si2(13) + H8Si4(94) ⇔ S(312) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -42.13
S298 (cal/mol*K) = -31.17
G298 (kcal/mol) = -32.84
! Template reaction: Silylene_Insertion ! Flux pairs: H8Si4(94), S(312); H3Si2(13), S(312); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H3Si2(13)+H8Si4(94)=S(312) 5.580e+14 0.000 -0.454
794. H3Si2(13) + H8Si4(94) ⇔ S(313) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -37.94
S298 (cal/mol*K) = -34.95
G298 (kcal/mol) = -27.52
! Template reaction: Silylene_Insertion ! Flux pairs: H8Si4(94), S(313); H3Si2(13), S(313); ! Exact match found for rate rule (Si2S;Si_H) H3Si2(13)+H8Si4(94)=S(313) 1.860e+14 0.000 -0.454
795. H3Si2(13) + H8Si4(94) ⇔ S(314) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -44.82
S298 (cal/mol*K) = -31.25
G298 (kcal/mol) = -35.51
! Template reaction: Silylene_Insertion ! Flux pairs: H8Si4(94), S(314); H3Si2(13), S(314); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H3Si2(13)+H8Si4(94)=S(314) 3.720e+14 0.000 -0.454
796. H3Si2(13) + H8Si4(21) ⇔ S(315) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -42.69
S298 (cal/mol*K) = -33.58
G298 (kcal/mol) = -32.68
! Template reaction: Silylene_Insertion ! Flux pairs: H8Si4(21), S(315); H3Si2(13), S(315); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H3Si2(13)+H8Si4(21)=S(315) 3.720e+14 0.000 -0.454
797. H3Si2(13) + H8Si4(21) ⇔ S(316) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -42.13
S298 (cal/mol*K) = -31.17
G298 (kcal/mol) = -32.84
! Template reaction: Silylene_Insertion ! Flux pairs: H8Si4(21), S(316); H3Si2(13), S(316); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H3Si2(13)+H8Si4(21)=S(316) 5.580e+14 0.000 -0.454
798. H3Si2(13) + H8Si4(21) ⇔ S(317) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -45.23
S298 (cal/mol*K) = -32.71
G298 (kcal/mol) = -35.48
! Template reaction: Silylene_Insertion ! Flux pairs: H8Si4(21), S(317); H3Si2(13), S(317); ! Exact match found for rate rule (Si2S;Si_H) H3Si2(13)+H8Si4(21)=S(317) 1.860e+14 0.000 -0.454
799. H3Si2(13) + H8Si4(21) ⇔ S(318) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -44.04
S298 (cal/mol*K) = -33.09
G298 (kcal/mol) = -34.18
! Template reaction: Silylene_Insertion ! Flux pairs: H8Si4(21), S(318); H3Si2(13), S(318); ! Exact match found for rate rule (Si2S;Si_H) ! Multiplied by reaction path degeneracy 2 H3Si2(13)+H8Si4(21)=S(318) 3.720e+14 0.000 -0.454
800. H3Si2(13) + H7Si3(32) ⇔ S(320) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.2+9.1+9.1+9.1
Arrhenius(A=(1.116e+15,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 6""")
H298 (kcal/mol) = -42.13
S298 (cal/mol*K) = -31.17
G298 (kcal/mol) = -32.84
! Template reaction: Silylene_Insertion ! Flux pairs: H7Si3(32), S(320); H3Si2(13), S(320); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 6 H3Si2(13)+H7Si3(32)=S(320) 1.116e+15 0.000 -0.454
801. H3Si2(13) + H7Si3(32) ⇔ S(321) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -37.94
S298 (cal/mol*K) = -34.95
G298 (kcal/mol) = -27.52
! Template reaction: Silylene_Insertion ! Flux pairs: H7Si3(32), S(321); H3Si2(13), S(321); ! Exact match found for rate rule (Si2S;Si_H) H3Si2(13)+H7Si3(32)=S(321) 1.860e+14 0.000 -0.454
802. H(9) + H8Si4(195) ⇔ H9Si4(41) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -86.75
S298 (cal/mol*K) = -27.58
G298 (kcal/mol) = -78.53
! Template reaction: R_Recombination ! Flux pairs: H8Si4(195), H9Si4(41); H(9), H9Si4(41); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) ! Multiplied by reaction path degeneracy 2 H(9)+H8Si4(195)=H9Si4(41) 1.441e+13 0.101 -0.195
803. H(9) + H8Si4(78) ⇔ H9Si4(41) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad)""")
H298 (kcal/mol) = -89.44
S298 (cal/mol*K) = -29.04
G298 (kcal/mol) = -80.79
! Template reaction: R_Recombination ! Flux pairs: H8Si4(78), H9Si4(41); H(9), H9Si4(41); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;H_rad) H(9)+H8Si4(78)=H9Si4(41) 7.206e+12 0.101 -0.195
804. H2(3) + H7Si4(324) ⇔ H9Si4(41) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.6+7.5+7.5+7.4
Arrhenius(A=(2.4e+13,'cm^3/(mol*s)'), n=0, Ea=(-2.092,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-Si;H_H) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -45.38
S298 (cal/mol*K) = -28.58
G298 (kcal/mol) = -36.87
! Template reaction: Silylene_Insertion ! Flux pairs: H2(3), H9Si4(41); H7Si4(324), H9Si4(41); ! Exact match found for rate rule (Si-Si-Si;H_H) ! Multiplied by reaction path degeneracy 2 H2(3)+H7Si4(324)=H9Si4(41) 2.400e+13 0.000 -0.500
805. SiH4(1) + H5Si3(68) ⇔ H9Si4(41) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.4+6.4+5.7+5.4
Arrhenius(A=(2.4e+10,'cm^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (Si-Si-H;SiH4) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -40.87
S298 (cal/mol*K) = -32.06
G298 (kcal/mol) = -31.31
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(1), H9Si4(41); H5Si3(68), H9Si4(41); ! Exact match found for rate rule (Si-Si-H;SiH4) ! Multiplied by reaction path degeneracy 4 SiH4(1)+H5Si3(68)=H9Si4(41) 2.400e+10 0.000 -9.100
806. SiH4(1) + H5Si3(84) ⇔ H9Si4(41) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.1+9.0+8.9+8.9
Arrhenius(A=(7.44e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -41.30
S298 (cal/mol*K) = -26.34
G298 (kcal/mol) = -33.45
! Template reaction: Silylene_Insertion ! Flux pairs: SiH4(1), H9Si4(41); H5Si3(84), H9Si4(41); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH4) ! Multiplied by reaction path degeneracy 4 SiH4(1)+H5Si3(84)=H9Si4(41) 7.440e+14 0.000 -0.454
807. SiH2(2) + H9Si4(41) ⇔ S(285) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +10.3+7.8+7.0+6.5
Arrhenius(A=(1.9e+11,'cm^3/(mol*s)'), n=0, Ea=(-48.5344,'kJ/mol'), T0=(1,'K'), Tmin=(300,'K'), Tmax=(2000,'K'), comment="""Exact match found for rate rule (SiH2;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -54.82
S298 (cal/mol*K) = -36.26
G298 (kcal/mol) = -44.02
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), S(285); H9Si4(41), S(285); ! Exact match found for rate rule (SiH2;SiH2_R2) ! Multiplied by reaction path degeneracy 2 SiH2(2)+H9Si4(41)=S(285) 1.900e+11 0.000 -11.600
808. SiH2(2) + H9Si4(41) ⇔ S(268) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.5+7.4+6.7+6.4
Arrhenius(A=(231291,'m^3/(mol*s)'), n=0, Ea=(-39.2976,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (SiH2;Si_H)""")
H298 (kcal/mol) = -49.15
S298 (cal/mol*K) = -38.97
G298 (kcal/mol) = -37.53
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), S(268); H9Si4(41), S(268); ! Estimated using an average for rate rule (SiH2;Si_H) SiH2(2)+H9Si4(41)=S(268) 2.313e+11 0.000 -9.392
809. SiH2(2) + H9Si4(41) ⇔ S(102) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+8.1+8.0+8.0
Arrhenius(A=(9.3e+13,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -53.33
S298 (cal/mol*K) = -33.81
G298 (kcal/mol) = -43.26
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), S(102); H9Si4(41), S(102); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH2(2)+H9Si4(41)=S(102) 9.300e+13 0.000 -0.454
810. SiH2(2) + H9Si4(41) ⇔ H11Si5(85) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+8.1+8.0+8.0
Arrhenius(A=(9.3e+13,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (SiH2;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -53.33
S298 (cal/mol*K) = -35.19
G298 (kcal/mol) = -42.85
! Template reaction: Silylene_Insertion ! Flux pairs: SiH2(2), H11Si5(85); H9Si4(41), H11Si5(85); ! Exact match found for rate rule (SiH2;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH2(2)+H9Si4(41)=H11Si5(85) 9.300e+13 0.000 -0.454
811. SiH3SiH(5) + H9Si4(41) ⇔ S(286) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -54.84
S298 (cal/mol*K) = -40.98
G298 (kcal/mol) = -42.63
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(286); H9Si4(41), S(286); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 2 SiH3SiH(5)+H9Si4(41)=S(286) 1.200e+10 0.000 -9.100
812. SiH3SiH(5) + H9Si4(41) ⇔ S(325) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+5.8+5.1+4.8
Arrhenius(A=(6000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H)""")
H298 (kcal/mol) = -49.16
S298 (cal/mol*K) = -43.70
G298 (kcal/mol) = -36.14
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(325); H9Si4(41), S(325); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) SiH3SiH(5)+H9Si4(41)=S(325) 6.000e+09 0.000 -9.100
813. SiH3SiH(5) + H9Si4(41) ⇔ S(211) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -53.35
S298 (cal/mol*K) = -38.54
G298 (kcal/mol) = -41.86
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(211); H9Si4(41), S(211); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH3SiH(5)+H9Si4(41)=S(211) 1.800e+10 0.000 -9.100
814. SiH3SiH(5) + H9Si4(41) ⇔ S(104) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -53.35
S298 (cal/mol*K) = -38.54
G298 (kcal/mol) = -41.86
! Template reaction: Silylene_Insertion ! Flux pairs: SiH3SiH(5), S(104); H9Si4(41), S(104); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 SiH3SiH(5)+H9Si4(41)=S(104) 1.800e+10 0.000 -9.100
815. H4Si2(7) + H9Si4(41) ⇔ H10Si4(16) + H3Si2(18) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(7), H3Si2(18); H9Si4(41), H10Si4(16); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 8 H4Si2(7)+H9Si4(41)=H10Si4(16)+H3Si2(18) 1.558e+03 3.620 -0.129
816. H2Si2(19) + H9Si4(41) ⇔ H10Si4(16) + HSi2(22) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 2.73
G298 (kcal/mol) = -4.78
! Template reaction: H_Abstraction ! Flux pairs: H2Si2(19), HSi2(22); H9Si4(41), H10Si4(16); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H2Si2(19)+H9Si4(41)=H10Si4(16)+HSi2(22) 7.792e+02 3.620 -0.129
817. H2Si2(19) + H9Si4(41) ⇔ S(315) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -35.55
S298 (cal/mol*K) = -53.09
G298 (kcal/mol) = -19.73
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), S(315); H9Si4(41), S(315); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H2Si2(19)+H9Si4(41)=S(315) 3.720e+14 0.000 -0.454
818. H2Si2(19) + H9Si4(41) ⇔ S(326) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -38.02
S298 (cal/mol*K) = -53.83
G298 (kcal/mol) = -21.98
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), S(326); H9Si4(41), S(326); ! Exact match found for rate rule (Si2S;Si_H) H2Si2(19)+H9Si4(41)=S(326) 1.860e+14 0.000 -0.454
819. H2Si2(19) + H9Si4(41) ⇔ S(316) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -50.68
G298 (kcal/mol) = -19.89
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), S(316); H9Si4(41), S(316); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H2Si2(19)+H9Si4(41)=S(316) 5.580e+14 0.000 -0.454
820. H2Si2(19) + H9Si4(41) ⇔ S(327) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -34.99
S298 (cal/mol*K) = -50.68
G298 (kcal/mol) = -19.89
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(19), S(327); H9Si4(41), S(327); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H2Si2(19)+H9Si4(41)=S(327) 5.580e+14 0.000 -0.454
821. H10Si4(16) + H2Si(52) ⇔ H3Si(8) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+5.9+6.7+7.1
Arrhenius(A=(297.647,'m^3/(mol*s)'), n=1.61699, Ea=(27.4311,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -4.35
S298 (cal/mol*K) = 3.34
G298 (kcal/mol) = -5.34
! Template reaction: H_Abstraction ! Flux pairs: H2Si(52), H3Si(8); H10Si4(16), H9Si4(41); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) ! Multiplied by reaction path degeneracy 8 H10Si4(16)+H2Si(52)=H3Si(8)+H9Si4(41) 2.976e+08 1.617 6.556
822. H3Si(8) + H9Si4(41) ⇔ SiH4(1) + H8Si4(195) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -5.68
S298 (cal/mol*K) = -2.79
G298 (kcal/mol) = -4.85
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H9Si4(41), H8Si4(195); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Si_silyl) ! Multiplied by reaction path degeneracy 4 H3Si(8)+H9Si4(41)=SiH4(1)+H8Si4(195) 7.792e+02 3.620 -0.129
823. H3Si(8) + H9Si4(41) ⇔ SiH4(1) + H8Si4(78) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+9.0+9.4
Arrhenius(A=(2700,'cm^3/(mol*s)'), n=3.58, Ea=(-6.29,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;Si_silyl) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -2.98
S298 (cal/mol*K) = -1.34
G298 (kcal/mol) = -2.58
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H9Si4(41), H8Si4(78); ! Exact match found for rate rule (Sis_Si_H3;Si_silyl) ! Multiplied by reaction path degeneracy 9 H3Si(8)+H9Si4(41)=SiH4(1)+H8Si4(78) 2.700e+03 3.580 -1.503
824. H3Si(8) + H9Si4(41) ⇔ SiH4(1) + H8Si4(332) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Si_silyl)""")
H298 (kcal/mol) = -9.71
S298 (cal/mol*K) = -1.99
G298 (kcal/mol) = -9.12
! Template reaction: H_Abstraction ! Flux pairs: H3Si(8), SiH4(1); H9Si4(41), H8Si4(332); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Si_silyl) H3Si(8)+H9Si4(41)=SiH4(1)+H8Si4(332) 3.153e+09 1.172 4.009
825. H3Si(8) + H9Si4(41) ⇔ H12Si5(36) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad)""")
H298 (kcal/mol) = -72.49
S298 (cal/mol*K) = -40.06
G298 (kcal/mol) = -60.55
! Template reaction: R_Recombination ! Flux pairs: H3Si(8), H12Si5(36); H9Si4(41), H12Si5(36); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_silyl;Si_rad) H3Si(8)+H9Si4(41)=H12Si5(36) 7.206e+12 0.101 -0.195
826. H5Si2(11) + H9Si4(41) ⇔ H4Si2(62) + H10Si4(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -1.95
G298 (kcal/mol) = -0.07
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), H4Si2(62); H9Si4(41), H10Si4(16); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H5Si2(11)+H9Si4(41)=H4Si2(62)+H10Si4(16) 6.305e+09 1.172 4.009
827. H5Si2(11) + H9Si4(41) ⇔ Si2H6(4) + H8Si4(195) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -2.83
G298 (kcal/mol) = -1.85
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), Si2H6(4); H9Si4(41), H8Si4(195); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H5Si2(11)+H9Si4(41)=Si2H6(4)+H8Si4(195) 7.792e+02 3.620 -0.129
828. Si2H6(4) + H8Si4(78) ⇔ H5Si2(11) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: Si2H6(4), H5Si2(11); H8Si4(78), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 Si2H6(4)+H8Si4(78)=H5Si2(11)+H9Si4(41) 3.507e+03 3.620 -0.129
829. H5Si2(11) + H9Si4(41) ⇔ Si2H6(4) + H8Si4(332) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -6.12
! Template reaction: H_Abstraction ! Flux pairs: H5Si2(11), Si2H6(4); H9Si4(41), H8Si4(332); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H5Si2(11)+H9Si4(41)=Si2H6(4)+H8Si4(332) 3.153e+09 1.172 4.009
830. H5Si2(11) + H9Si4(41) ⇔ H14Si6(44) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.2+7.2+7.2+7.2
Arrhenius(A=(7.20571e+06,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad)""")
H298 (kcal/mol) = -70.37
S298 (cal/mol*K) = -40.92
G298 (kcal/mol) = -58.17
! Template reaction: R_Recombination ! Flux pairs: H5Si2(11), H14Si6(44); H9Si4(41), H14Si6(44); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) H5Si2(11)+H9Si4(41)=H14Si6(44) 7.206e+12 0.101 -0.195
831. SiH2(2) + H8Si4(195) ⇔ HSi(10) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -7.50
S298 (cal/mol*K) = -2.38
G298 (kcal/mol) = -6.79
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H8Si4(195), H9Si4(41); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 SiH2(2)+H8Si4(195)=HSi(10)+H9Si4(41) 1.558e+03 3.620 -0.129
832. SiH2(2) + H8Si4(78) ⇔ HSi(10) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -10.19
S298 (cal/mol*K) = -3.84
G298 (kcal/mol) = -9.05
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H8Si4(78), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H8Si4(78)=HSi(10)+H9Si4(41) 7.792e+02 3.620 -0.129
833. SiH2(2) + H8Si4(332) ⇔ HSi(10) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +3.7+5.6+6.4+6.8
Arrhenius(A=(148.823,'m^3/(mol*s)'), n=1.61699, Ea=(27.4541,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.47
S298 (cal/mol*K) = -3.19
G298 (kcal/mol) = -2.51
! Template reaction: H_Abstraction ! Flux pairs: SiH2(2), HSi(10); H8Si4(332), H9Si4(41); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_H;Si_triplet) ! Multiplied by reaction path degeneracy 4 SiH2(2)+H8Si4(332)=HSi(10)+H9Si4(41) 1.488e+08 1.617 6.562
834. HSi(10) + H9Si4(41) ⇔ S(292) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -44.63
S298 (cal/mol*K) = -32.42
G298 (kcal/mol) = -34.97
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), S(292); H9Si4(41), S(292); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 HSi(10)+H9Si4(41)=S(292) 3.720e+14 0.000 -0.454
835. HSi(10) + H9Si4(41) ⇔ S(196) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -38.95
S298 (cal/mol*K) = -33.76
G298 (kcal/mol) = -28.89
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), S(196); H9Si4(41), S(196); ! Exact match found for rate rule (Si2S;Si_H) HSi(10)+H9Si4(41)=S(196) 1.860e+14 0.000 -0.454
836. HSi(10) + H9Si4(41) ⇔ S(212) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -43.14
S298 (cal/mol*K) = -29.97
G298 (kcal/mol) = -34.21
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), S(212); H9Si4(41), S(212); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 HSi(10)+H9Si4(41)=S(212) 5.580e+14 0.000 -0.454
837. HSi(10) + H9Si4(41) ⇔ H10Si5(98) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -43.14
S298 (cal/mol*K) = -29.97
G298 (kcal/mol) = -34.21
! Template reaction: Silylene_Insertion ! Flux pairs: HSi(10), H10Si5(98); H9Si4(41), H10Si5(98); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 HSi(10)+H9Si4(41)=H10Si5(98) 5.580e+14 0.000 -0.454
838. SiH3SiH(5) + H8Si4(195) ⇔ H3Si2(12) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = -11.65
S298 (cal/mol*K) = 0.54
G298 (kcal/mol) = -11.81
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H8Si4(195), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad) ! Multiplied by reaction path degeneracy 18 SiH3SiH(5)+H8Si4(195)=H3Si2(12)+H9Si4(41) 3.507e+03 3.620 -0.129
839. SiH3SiH(5) + H8Si4(78) ⇔ H3Si2(12) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.35
S298 (cal/mol*K) = -0.92
G298 (kcal/mol) = -14.08
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H8Si4(78), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H8Si4(78)=H3Si2(12)+H9Si4(41) 1.753e+03 3.620 -0.129
840. SiH3SiH(5) + H8Si4(332) ⇔ H3Si2(12) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.0+5.9+6.7+7.1
Arrhenius(A=(334.853,'m^3/(mol*s)'), n=1.61699, Ea=(27.3453,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -7.62
S298 (cal/mol*K) = -0.27
G298 (kcal/mol) = -7.54
! Template reaction: H_Abstraction ! Flux pairs: SiH3SiH(5), H3Si2(12); H8Si4(332), H9Si4(41); ! Estimated using template (X_H;Y_1centerbirad) for rate rule (Sis_Si_H3;Si_triplet) ! Multiplied by reaction path degeneracy 9 SiH3SiH(5)+H8Si4(332)=H3Si2(12)+H9Si4(41) 3.349e+08 1.617 6.536
841. H3Si2(12) + H9Si4(41) ⇔ S(294) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.1+6.1+5.4+5.1
Arrhenius(A=(12000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -40.49
S298 (cal/mol*K) = -40.06
G298 (kcal/mol) = -28.55
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(294); H9Si4(41), S(294); ! Estimated using template (Si-Si-H;Si_H) for rate rule (Si-Si-H;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H3Si2(12)+H9Si4(41)=S(294) 1.200e+10 0.000 -9.100
842. H3Si2(12) + H9Si4(41) ⇔ S(335) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+5.8+5.1+4.8
Arrhenius(A=(6000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H)""")
H298 (kcal/mol) = -34.81
S298 (cal/mol*K) = -41.40
G298 (kcal/mol) = -22.47
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(335); H9Si4(41), S(335); ! Si-Si-H;SiH4Exact match found for rate rule (Si-Si-H;Si_H) H3Si2(12)+H9Si4(41)=S(335) 6.000e+09 0.000 -9.100
843. H3Si2(12) + H9Si4(41) ⇔ S(296) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -39.00
S298 (cal/mol*K) = -37.62
G298 (kcal/mol) = -27.79
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(296); H9Si4(41), S(296); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H3Si2(12)+H9Si4(41)=S(296) 1.800e+10 0.000 -9.100
844. H3Si2(12) + H9Si4(41) ⇔ S(243) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.2+6.2+5.6+5.2
Arrhenius(A=(18000,'m^3/(mol*s)'), n=0, Ea=(-38.0744,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -39.00
S298 (cal/mol*K) = -37.62
G298 (kcal/mol) = -27.79
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(12), S(243); H9Si4(41), S(243); ! Estimated using template (Si-Si-H;SiH3_R) for rate rule (Si-Si-H;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H3Si2(12)+H9Si4(41)=S(243) 1.800e+10 0.000 -9.100
845. H6Si3(64) + H10Si4(16) ⇔ H7Si3(31) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00311692,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 16""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 2.68
G298 (kcal/mol) = -3.50
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(64), H7Si3(31); H10Si4(16), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 16 H6Si3(64)+H10Si4(16)=H7Si3(31)+H9Si4(41) 3.117e+03 3.620 -0.129
846. H7Si3(31) + H9Si4(41) ⇔ H10Si4(16) + H6Si3(92) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -1.95
G298 (kcal/mol) = -0.07
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), H6Si3(92); H9Si4(41), H10Si4(16); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H7Si3(31)+H9Si4(41)=H10Si4(16)+H6Si3(92) 6.305e+09 1.172 4.009
847. H7Si3(31) + H9Si4(41) ⇔ Si3H8(6) + H8Si4(195) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -2.83
G298 (kcal/mol) = -1.85
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), Si3H8(6); H9Si4(41), H8Si4(195); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si3(31)+H9Si4(41)=Si3H8(6)+H8Si4(195) 7.792e+02 3.620 -0.129
848. Si3H8(6) + H8Si4(78) ⇔ H7Si3(31) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.4+8.4+9.1+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: Si3H8(6), H7Si3(31); H8Si4(78), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 Si3H8(6)+H8Si4(78)=H7Si3(31)+H9Si4(41) 3.507e+03 3.620 -0.129
849. H7Si3(31) + H9Si4(41) ⇔ H8Si4(332) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -6.12
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), Si3H8(6); H9Si4(41), H8Si4(332); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H7Si3(31)+H9Si4(41)=H8Si4(332)+Si3H8(6) 3.153e+09 1.172 4.009
850. H10Si4(16) + H8Si4(78) ⇔ H9Si4(42) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+8.6+9.2+9.7
Arrhenius(A=(0.005065,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 26 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(78), H9Si4(42); H10Si4(16), H9Si4(41); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 26 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H10Si4(16)+H8Si4(78)=H9Si4(42)+H9Si4(41) 5.065e+03 3.620 0.000
851. H10Si4(16) + H8Si4(77) ⇔ H9Si4(42) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00311692,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 16""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 2.68
G298 (kcal/mol) = -3.50
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(77), H9Si4(42); H10Si4(16), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 16 H10Si4(16)+H8Si4(77)=H9Si4(42)+H9Si4(41) 3.117e+03 3.620 -0.129
852. H9Si4(42) + H9Si4(41) ⇔ H10Si4(16) + H8Si4(115) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -1.95
G298 (kcal/mol) = -0.07
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(115); H9Si4(41), H10Si4(16); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H9Si4(42)+H9Si4(41)=H10Si4(16)+H8Si4(115) 6.305e+09 1.172 4.009
853. H9Si4(42) + H9Si4(41) ⇔ H10Si4(16) + H8Si4(195) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -2.83
G298 (kcal/mol) = -1.85
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H10Si4(16); H9Si4(41), H8Si4(195); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H9Si4(42)+H9Si4(41)=H10Si4(16)+H8Si4(195) 7.792e+02 3.620 -0.129
854. H9Si4(42) + H9Si4(41) ⇔ H8Si4(332) + H10Si4(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -6.12
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H10Si4(16); H9Si4(41), H8Si4(332); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H9Si4(42)+H9Si4(41)=H8Si4(332)+H10Si4(16) 3.153e+09 1.172 4.009
855. H4Si2(53) + H9Si4(41) ⇔ H3Si2(116) + H10Si4(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.5+6.7+7.2+7.5
Arrhenius(A=(12610.8,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -0.48
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H3Si2(116); H9Si4(41), H10Si4(16); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H4Si2(53)+H9Si4(41)=H3Si2(116)+H10Si4(16) 1.261e+10 1.172 4.009
856. H4Si2(53) + H9Si4(41) ⇔ H5Si2(11) + H8Si4(195) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H5Si2(11); H9Si4(41), H8Si4(195); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H4Si2(53)+H9Si4(41)=H5Si2(11)+H8Si4(195) 1.558e+03 3.620 -0.129
857. H4Si2(53) + H9Si4(41) ⇔ H5Si2(11) + H8Si4(78) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(0.00357344,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H5Si2(11); H9Si4(41), H8Si4(78); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H4Si2(53)+H9Si4(41)=H5Si2(11)+H8Si4(78) 3.507e+03 3.620 0.001
858. H4Si2(53) + H9Si4(41) ⇔ H8Si4(332) + H5Si2(11) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = 0.73
G298 (kcal/mol) = -6.94
! Template reaction: H_Abstraction ! Flux pairs: H4Si2(53), H5Si2(11); H9Si4(41), H8Si4(332); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 2 H4Si2(53)+H9Si4(41)=H8Si4(332)+H5Si2(11) 6.305e+09 1.172 4.009
859. H4Si2(53) + H9Si4(41) ⇔ H13Si6(74) R_Recombination
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.5+7.5+7.5+7.5
Arrhenius(A=(1.44114e+07,'m^3/(mol*s)'), n=0.100587, Ea=(-0.815004,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -70.37
S298 (cal/mol*K) = -39.55
G298 (kcal/mol) = -58.59
! Template reaction: R_Recombination ! Flux pairs: H4Si2(53), H13Si6(74); H9Si4(41), H13Si6(74); ! Estimated using template (Y_rad;Y_rad) for rate rule (Si_rad;Si_rad) ! Multiplied by reaction path degeneracy 2 H4Si2(53)+H9Si4(41)=H13Si6(74) 1.441e+13 0.101 -0.195
860. H9Si4(59) + H10Si4(16) ⇔ H10Si4(34) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.88
G298 (kcal/mol) = -2.43
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(59), H10Si4(34); H10Si4(16), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H9Si4(59)+H10Si4(16)=H10Si4(34)+H9Si4(41) 1.558e+03 3.620 -0.129
861. H9Si4(126) + H10Si4(16) ⇔ H10Si4(34) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -5.68
S298 (cal/mol*K) = 4.09
G298 (kcal/mol) = -6.90
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(126), H10Si4(34); H10Si4(16), H9Si4(41); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H9Si4(126)+H10Si4(16)=H10Si4(34)+H9Si4(41) 1.558e+03 3.620 -0.129
862. H9Si4(41) + H2Si2(66) ⇔ S(311) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -29.26
S298 (cal/mol*K) = -32.69
G298 (kcal/mol) = -19.52
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), S(311); H9Si4(41), S(311); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H9Si4(41)+H2Si2(66)=S(311) 3.720e+14 0.000 -0.454
863. H9Si4(41) + H2Si2(66) ⇔ S(338) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -23.59
S298 (cal/mol*K) = -34.03
G298 (kcal/mol) = -13.44
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), S(338); H9Si4(41), S(338); ! Exact match found for rate rule (Si2S;Si_H) H9Si4(41)+H2Si2(66)=S(338) 1.860e+14 0.000 -0.454
864. H9Si4(41) + H2Si2(66) ⇔ S(312) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -27.77
S298 (cal/mol*K) = -30.25
G298 (kcal/mol) = -18.76
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), S(312); H9Si4(41), S(312); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H9Si4(41)+H2Si2(66)=S(312) 5.580e+14 0.000 -0.454
865. H9Si4(41) + H2Si2(66) ⇔ S(339) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -27.77
S298 (cal/mol*K) = -30.25
G298 (kcal/mol) = -18.76
! Template reaction: Silylene_Insertion ! Flux pairs: H2Si2(66), S(339); H9Si4(41), S(339); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H9Si4(41)+H2Si2(66)=S(339) 5.580e+14 0.000 -0.454
866. H10Si4(16) + H5Si3(48) ⇔ H6Si3(20) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 1.30
G298 (kcal/mol) = -3.09
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(48), H6Si3(20); H10Si4(16), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H10Si4(16)+H5Si3(48)=H6Si3(20)+H9Si4(41) 1.558e+03 3.620 -0.129
867. H6Si3(20) + H9Si4(41) ⇔ H5Si3(129) + H10Si4(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad)""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 1.36
G298 (kcal/mol) = -4.37
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(20), H5Si3(129); H9Si4(41), H10Si4(16); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) H6Si3(20)+H9Si4(41)=H5Si3(129)+H10Si4(16) 1.948e+02 3.620 -0.129
868. H6Si3(20) + H9Si4(41) ⇔ H5Si3(130) + H10Si4(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 1.36
G298 (kcal/mol) = -4.37
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(20), H5Si3(130); H9Si4(41), H10Si4(16); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H6Si3(20)+H9Si4(41)=H5Si3(130)+H10Si4(16) 7.792e+02 3.620 -0.129
869. H5Si3(119) + H10Si4(16) ⇔ H6Si3(65) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00311692,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 16""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 2.68
G298 (kcal/mol) = -3.50
! Template reaction: H_Abstraction ! Flux pairs: H5Si3(119), H6Si3(65); H10Si4(16), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 16 H5Si3(119)+H10Si4(16)=H6Si3(65)+H9Si4(41) 3.117e+03 3.620 -0.129
870. H6Si3(65) + H9Si4(41) ⇔ H10Si4(16) + H5Si3(201) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -4.03
S298 (cal/mol*K) = -1.95
G298 (kcal/mol) = -3.45
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H5Si3(201); H9Si4(41), H10Si4(16); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H6Si3(65)+H9Si4(41)=H10Si4(16)+H5Si3(201) 3.153e+09 1.172 4.009
871. H6Si3(65) + H9Si4(41) ⇔ H10Si4(16) + H5Si3(202) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -1.95
G298 (kcal/mol) = -0.07
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H5Si3(202); H9Si4(41), H10Si4(16); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H6Si3(65)+H9Si4(41)=H10Si4(16)+H5Si3(202) 6.305e+09 1.172 4.009
872. H7Si3(31) + H8Si4(195) ⇔ H6Si3(65) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(3.60887e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), H6Si3(65); H8Si4(195), H9Si4(41); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H7Si3(31)+H8Si4(195)=H6Si3(65)+H9Si4(41) 1.558e+03 3.620 0.000
873. H7Si3(31) + H8Si4(78) ⇔ H6Si3(65) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(31), H6Si3(65); H8Si4(78), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H7Si3(31)+H8Si4(78)=H6Si3(65)+H9Si4(41) 7.792e+02 3.620 -0.129
874. H6Si3(65) + H9Si4(41) ⇔ H8Si4(332) + H7Si3(31) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -4.03
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -3.86
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H7Si3(31); H9Si4(41), H8Si4(332); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H6Si3(65)+H9Si4(41)=H8Si4(332)+H7Si3(31) 3.153e+09 1.172 4.009
875. H6Si3(65) + H9Si4(41) ⇔ H7Si3(32) + H8Si4(195) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -2.83
G298 (kcal/mol) = -1.85
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H7Si3(32); H9Si4(41), H8Si4(195); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H6Si3(65)+H9Si4(41)=H7Si3(32)+H8Si4(195) 7.792e+02 3.620 -0.129
876. H7Si3(32) + H8Si4(78) ⇔ H6Si3(65) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.5
Arrhenius(A=(0.00350654,'m^3/(mol*s)'), n=3.62, Ea=(1.86265e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 18 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(32), H6Si3(65); H8Si4(78), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 18 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H7Si3(32)+H8Si4(78)=H6Si3(65)+H9Si4(41) 3.507e+03 3.620 0.000
877. H6Si3(65) + H9Si4(41) ⇔ H8Si4(332) + H7Si3(32) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -2.03
G298 (kcal/mol) = -6.12
! Template reaction: H_Abstraction ! Flux pairs: H6Si3(65), H7Si3(32); H9Si4(41), H8Si4(332); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H6Si3(65)+H9Si4(41)=H8Si4(332)+H7Si3(32) 3.153e+09 1.172 4.009
878. H10Si4(16) + H7Si4(157) ⇔ H9Si4(41) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(157), H8Si4(94); H10Si4(16), H9Si4(41); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H10Si4(16)+H7Si4(157)=H9Si4(41)+H8Si4(94) 1.558e+03 3.620 -0.129
879. H7Si4(125) + H10Si4(16) ⇔ H9Si4(41) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 1.30
G298 (kcal/mol) = -3.09
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(125), H8Si4(94); H10Si4(16), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H7Si4(125)+H10Si4(16)=H9Si4(41)+H8Si4(94) 1.558e+03 3.620 -0.129
880. H9Si4(41) + H8Si4(94) ⇔ H10Si4(16) + H7Si4(234) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -4.03
S298 (cal/mol*K) = -1.95
G298 (kcal/mol) = -3.45
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H7Si4(234); H9Si4(41), H10Si4(16); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H9Si4(41)+H8Si4(94)=H10Si4(16)+H7Si4(234) 3.153e+09 1.172 4.009
881. H9Si4(41) + H8Si4(94) ⇔ H10Si4(16) + H7Si4(235) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +5.2+6.4+6.9+7.2
Arrhenius(A=(6305.39,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -0.65
S298 (cal/mol*K) = -1.95
G298 (kcal/mol) = -0.07
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H7Si4(235); H9Si4(41), H10Si4(16); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 2 H9Si4(41)+H8Si4(94)=H10Si4(16)+H7Si4(235) 6.305e+09 1.172 4.009
882. H9Si4(42) + H8Si4(195) ⇔ H9Si4(41) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(94); H8Si4(195), H9Si4(41); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H9Si4(42)+H8Si4(195)=H9Si4(41)+H8Si4(94) 1.558e+03 3.620 -0.129
883. H9Si4(42) + H8Si4(78) ⇔ H9Si4(41) + H8Si4(94) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(42), H8Si4(94); H8Si4(78), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H9Si4(42)+H8Si4(78)=H9Si4(41)+H8Si4(94) 7.792e+02 3.620 -0.129
884. H9Si4(41) + H8Si4(94) ⇔ H8Si4(332) + H9Si4(42) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -4.03
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -3.86
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H9Si4(42); H9Si4(41), H8Si4(332); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H9Si4(41)+H8Si4(94)=H8Si4(332)+H9Si4(42) 3.153e+09 1.172 4.009
885. H9Si4(41) + H8Si4(94) ⇔ H9Si4(41) + H8Si4(195) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -1.46
G298 (kcal/mol) = -2.26
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H9Si4(41); H9Si4(41), H8Si4(195); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 H9Si4(41)+H8Si4(94)=H9Si4(41)+H8Si4(195) 7.792e+02 3.620 -0.129
886. H9Si4(41) + H8Si4(94) ⇔ H9Si4(41) + H8Si4(78) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.1+8.1+8.8+9.2
Arrhenius(A=(0.00175327,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 0.00
G298 (kcal/mol) = 0.00
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H9Si4(41); H9Si4(41), H8Si4(78); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_Si_H3;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 9 H9Si4(41)+H8Si4(94)=H9Si4(41)+H8Si4(78) 1.753e+03 3.620 -0.129
887. H9Si4(41) + H8Si4(94) ⇔ H8Si4(332) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2)""")
H298 (kcal/mol) = -6.73
S298 (cal/mol*K) = -0.65
G298 (kcal/mol) = -6.53
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(94), H9Si4(41); H9Si4(41), H8Si4(332); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad_Si_H2) H9Si4(41)+H8Si4(94)=H8Si4(332)+H9Si4(41) 3.153e+09 1.172 4.009
888. H(9) + H9Si4(41) ⇔ H2(3) + H8Si4(195) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.8+8.5+8.9+9.2
Arrhenius(A=(251.363,'m^3/(mol*s)'), n=2.07, Ea=(1.685,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;H_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -17.46
S298 (cal/mol*K) = 3.98
G298 (kcal/mol) = -18.64
! Template reaction: H_Abstraction ! Flux pairs: H(9), H2(3); H9Si4(41), H8Si4(195); ! Estimated using an average for rate rule (Sis_H;H_rad) ! Multiplied by reaction path degeneracy 4 H(9)+H9Si4(41)=H2(3)+H8Si4(195) 2.514e+08 2.070 0.403
889. H(9) + H9Si4(41) ⇔ H2(3) + H8Si4(78) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +9.6+9.8+10.0+10.2
Arrhenius(A=(1.1295e+10,'cm^3/(mol*s)'), n=1.82, Ea=(-6.14,'kJ/mol'), T0=(1,'K'), Tmin=(290,'K'), Tmax=(2500,'K'), comment="""Exact match found for rate rule (Sis_Si_H3;H_rad) Multiplied by reaction path degeneracy 9""")
H298 (kcal/mol) = -14.76
S298 (cal/mol*K) = 5.43
G298 (kcal/mol) = -16.38
! Template reaction: H_Abstraction ! Flux pairs: H(9), H2(3); H9Si4(41), H8Si4(78); ! Exact match found for rate rule (Sis_Si_H3;H_rad) ! Multiplied by reaction path degeneracy 9 H(9)+H9Si4(41)=H2(3)+H8Si4(78) 1.130e+10 1.820 -1.467
890. H(9) + H9Si4(41) ⇔ H2(3) + H8Si4(332) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.7+7.9+8.1+8.3
Arrhenius(A=(424.5,'m^3/(mol*s)'), n=1.69, Ea=(-4.42,'kJ/mol'), T0=(1,'K'), comment="""Sirad_Si_H2;H_radExact match found for rate rule (Sirad_H;H_rad)""")
H298 (kcal/mol) = -21.49
S298 (cal/mol*K) = 4.78
G298 (kcal/mol) = -22.91
! Template reaction: H_Abstraction ! Flux pairs: H(9), H2(3); H9Si4(41), H8Si4(332); ! Sirad_Si_H2;H_radExact match found for rate rule (Sirad_H;H_rad) H(9)+H9Si4(41)=H2(3)+H8Si4(332) 4.245e+08 1.690 -1.056
891. H7Si4(56) + H10Si4(16) ⇔ H8Si4(21) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(56), H8Si4(21); H10Si4(16), H9Si4(41); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 H7Si4(56)+H10Si4(16)=H8Si4(21)+H9Si4(41) 1.558e+03 3.620 -0.129
892. H7Si4(55) + H10Si4(16) ⇔ H8Si4(21) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 1.30
G298 (kcal/mol) = -3.09
! Template reaction: H_Abstraction ! Flux pairs: H7Si4(55), H8Si4(21); H10Si4(16), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H7Si4(55)+H10Si4(16)=H8Si4(21)+H9Si4(41) 1.558e+03 3.620 -0.129
893. H8Si4(21) + H9Si4(41) ⇔ H10Si4(16) + H7Si4(252) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.1+7.2+7.8+8.3
Arrhenius(A=(0.000194808,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad)""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 1.36
G298 (kcal/mol) = -4.37
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(21), H7Si4(252); H9Si4(41), H10Si4(16); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_H;Sis_rad) H8Si4(21)+H9Si4(41)=H10Si4(16)+H7Si4(252) 1.948e+02 3.620 -0.129
894. H8Si4(21) + H9Si4(41) ⇔ H10Si4(16) + H7Si4(253) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -3.96
S298 (cal/mol*K) = 1.36
G298 (kcal/mol) = -4.37
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(21), H7Si4(253); H9Si4(41), H10Si4(16); ! Estimated using template (Si_H;Si_rad) for rate rule (Sid_Si_H2;Sis_rad) ! Multiplied by reaction path degeneracy 4 H8Si4(21)+H9Si4(41)=H10Si4(16)+H7Si4(253) 7.792e+02 3.620 -0.129
895. H7Si3(32) + H9Si4(41) ⇔ H10Si4(16) + H6Si3(273) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -4.03
S298 (cal/mol*K) = -1.95
G298 (kcal/mol) = -3.45
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(32), H6Si3(273); H9Si4(41), H10Si4(16); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H7Si3(32)+H9Si4(41)=H10Si4(16)+H6Si3(273) 3.153e+09 1.172 4.009
896. Si3H8(6) + H8Si4(195) ⇔ H7Si3(32) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.1
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(1.74623e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 8 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 1.38
G298 (kcal/mol) = -0.41
! Template reaction: H_Abstraction ! Flux pairs: Si3H8(6), H7Si3(32); H8Si4(195), H9Si4(41); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 8 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. Si3H8(6)+H8Si4(195)=H7Si3(32)+H9Si4(41) 1.558e+03 3.620 0.000
897. Si3H8(6) + H8Si4(78) ⇔ H7Si3(32) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +6.7+7.8+8.4+8.9
Arrhenius(A=(0.00077923,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 4""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = -0.08
G298 (kcal/mol) = -2.67
! Template reaction: H_Abstraction ! Flux pairs: Si3H8(6), H7Si3(32); H8Si4(78), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 4 Si3H8(6)+H8Si4(78)=H7Si3(32)+H9Si4(41) 7.792e+02 3.620 -0.129
898. H7Si3(32) + H9Si4(41) ⇔ H8Si4(332) + Si3H8(6) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -4.03
S298 (cal/mol*K) = -0.57
G298 (kcal/mol) = -3.86
! Template reaction: H_Abstraction ! Flux pairs: H7Si3(32), Si3H8(6); H9Si4(41), H8Si4(332); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H7Si3(32)+H9Si4(41)=H8Si4(332)+Si3H8(6) 3.153e+09 1.172 4.009
899. H3Si2(13) + H9Si4(41) ⇔ S(341) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.8+8.7+8.6+8.6
Arrhenius(A=(3.72e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) Multiplied by reaction path degeneracy 2""")
H298 (kcal/mol) = -43.62
S298 (cal/mol*K) = -33.61
G298 (kcal/mol) = -33.60
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(13), S(341); H9Si4(41), S(341); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH2_R2) ! Multiplied by reaction path degeneracy 2 H3Si2(13)+H9Si4(41)=S(341) 3.720e+14 0.000 -0.454
900. H3Si2(13) + H9Si4(41) ⇔ S(342) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.5+8.4+8.3+8.3
Arrhenius(A=(1.86e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Exact match found for rate rule (Si2S;Si_H)""")
H298 (kcal/mol) = -37.94
S298 (cal/mol*K) = -34.95
G298 (kcal/mol) = -27.52
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(13), S(342); H9Si4(41), S(342); ! Exact match found for rate rule (Si2S;Si_H) H3Si2(13)+H9Si4(41)=S(342) 1.860e+14 0.000 -0.454
901. H3Si2(13) + H9Si4(41) ⇔ S(222) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -42.13
S298 (cal/mol*K) = -32.54
G298 (kcal/mol) = -32.43
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(13), S(222); H9Si4(41), S(222); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H3Si2(13)+H9Si4(41)=S(222) 5.580e+14 0.000 -0.454
902. H3Si2(13) + H9Si4(41) ⇔ S(343) Silylene_Insertion
T/[K] 500100015002000
log10(k/[mole,m,s]) +8.9+8.8+8.8+8.8
Arrhenius(A=(5.58e+14,'cm^3/(mol*s)'), n=0, Ea=(-1.9,'kJ/mol'), T0=(1,'K'), Tmin=(295,'K'), Tmax=(595,'K'), comment="""Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) Multiplied by reaction path degeneracy 3""")
H298 (kcal/mol) = -42.13
S298 (cal/mol*K) = -31.17
G298 (kcal/mol) = -32.84
! Template reaction: Silylene_Insertion ! Flux pairs: H3Si2(13), S(343); H9Si4(41), S(343); ! Estimated using template (Si2S;Si_H) for rate rule (Si2S;SiH3_Si) ! Multiplied by reaction path degeneracy 3 H3Si2(13)+H9Si4(41)=S(343) 5.580e+14 0.000 -0.454
903. H10Si4(16) + H8Si4(195) ⇔ H9Si4(41) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.3+8.4+9.0+9.4
Arrhenius(A=(0.00311692,'m^3/(mol*s)'), n=3.62, Ea=(1.74623e-12,'kJ/mol'), T0=(1,'K'), comment="""Estimated using an average for rate rule (Sis_H;Sis_rad) Multiplied by reaction path degeneracy 16 Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction.""")
H298 (kcal/mol) = 0.00
S298 (cal/mol*K) = 2.75
G298 (kcal/mol) = -0.82
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(195), H9Si4(41); H10Si4(16), H9Si4(41); ! Estimated using an average for rate rule (Sis_H;Sis_rad) ! Multiplied by reaction path degeneracy 16 ! Ea raised from -0.5 to 0.0 kJ/mol to match endothermicity of reaction. H10Si4(16)+H8Si4(195)=H9Si4(41)+H9Si4(41) 3.117e+03 3.620 0.000
904. H10Si4(16) + H8Si4(78) ⇔ H9Si4(41) + H9Si4(41) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +7.0+8.1+8.7+9.2
Arrhenius(A=(0.00155846,'m^3/(mol*s)'), n=3.62, Ea=(-0.54,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) Multiplied by reaction path degeneracy 8""")
H298 (kcal/mol) = -2.70
S298 (cal/mol*K) = 1.30
G298 (kcal/mol) = -3.09
! Template reaction: H_Abstraction ! Flux pairs: H8Si4(78), H9Si4(41); H10Si4(16), H9Si4(41); ! Estimated using template (Sis_H;Sis_rad) for rate rule (Sis_H;Sis_rad_Si_H2) ! Multiplied by reaction path degeneracy 8 H10Si4(16)+H8Si4(78)=H9Si4(41)+H9Si4(41) 1.558e+03 3.620 -0.129
905. H9Si4(41) + H9Si4(41) ⇔ H8Si4(332) + H10Si4(16) H_Abstraction
T/[K] 500100015002000
log10(k/[mole,m,s]) +4.9+6.1+6.6+6.9
Arrhenius(A=(3152.69,'m^3/(mol*s)'), n=1.17167, Ea=(16.7734,'kJ/mol'), T0=(1,'K'), comment="""Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad)""")
H298 (kcal/mol) = -4.03
S298 (cal/mol*K) = -1.95
G298 (kcal/mol) = -3.45
! Template reaction: H_Abstraction ! Flux pairs: H9Si4(41), H8Si4(332); H9Si4(41), H10Si4(16); ! Estimated using template (Xrad_H;Y_rad) for rate rule (Sirad_H;Sis_rad) H9Si4(41)+H9Si4(41)=H8Si4(332)+H10Si4(16) 3.153e+09 1.172 4.009